Contact Molecules for Homologous Proteins

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PID QueryLength Homolgous Sequence in PDB UniProt Query TITLE
1156373 419 61 Q9Y6K9(NEMO_HUMAN) RecName: Full=NF-kappa-B essential modulator ; Short=NEMO ;AltName: Full=FIP-3;AltName: Full=IkB kinase-associated protein 1; Short=IKKAP1;AltName: Full=Inhibitor of nuclear factor kappa-B kinase subunit gamma; Short=I-kappa-B kinase subunit gamma; Short=IKK-gamma; Short=IKKG; Short=IkB kinase subunit gamma;AltName: Full=NF-kappa-B essential modifier;
QUERYSEQ 
MNRHLWKSQLCEMVQPSGGPAADQDVLGEESPLGKPAMLHLPSEQGAPETLQRCLEENQELRDAIRQSNQILRERCEELLHFQASQREEKEFLMCKFQEARKLVERLGLEKLDLKRQKEQALREVEHLKRCQQQMAEDKASVKAQVTSLL
GELQESQSRLEAATKECQALEGRARAASEQARQLESEREALQQQHSVQVDQLRMQGQSVEAALRMERQAASEEKRKLAQLQVAYHQLFQEYDNHIKSSVVGSERKRGMQLEDLKQQLQQAEEALVAKQEVIDKLKEEAEQHKIVMETVPV
LKAQADIYKADFQAERQAREKLAEKKELLQEQLEQLQREYSKLKASCQESARIEDMRKRHVEVSQAPLPPAPAYLSSPLALPSQRRSPPEEPPDFCCPKCQYQAPDMDTLQIHVMECIE
[BLAST file for PDB] (plain) (bar) (multiple alignment) [BLAST for UniProt: (plain) (bar) (multiple alignment) (PSSM file) ]

UniProt Feature Tables [Q9Y6K9(NEMO_HUMAN)]

419
region name description
1-419 CHAIN /note="NF-kappa-B essential modulator" /id="PRO_0000096782"
389-419 ZN_FING /note="CCHC NOA-type"
1-197 REGION /note="Required for interaction with and ubiquitination by MARCHF2"
44-111 REGION /note="Interaction with CHUK/IKBKB"
150-257 REGION /note="Interaction with TANK"
242-350 REGION /note="Ubiquitin-binding (UBAN)"
246-365 REGION /note="Self-association"
251-419 REGION /note="Required for interaction with TNFAIP3"
322-343 REGION /note="Leucine-zipper"
358-395 REGION /note="Disordered"
382-419 REGION /note="Interaction with CYLD"
49-356 COILED
373-386 COMPBIAS /note="Low complexity"
397-397 BINDING /ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105"
400-400 BINDING /ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105"
413-413 BINDING /ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105"
417-417 BINDING /ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105"
1-392 DISORDER predicted by DISOPRED

MONOMER
419
pdb_id a1 identity[%]2 description
4bwn A 98.8 NEMO_HUMAN NF-KAPPA-B ESSENTIAL MODULATOR
6mi3 A 75.6 NEMO_HUMAN NF-kB ESSENTIAL MODULATOR,NF-kappa-B essential modulator,NF-kB ESSENTIAL MODULATOR
3cl3 C 100.0 NEMO_HUMAN NF-kappa-B essential modulator
5aay A 100.0 NEMO_HUMAN NF-KAPPA-B ESSENTIAL MODULATOR 
1.a1:asym_id for the homologue. 2.identity[%]2:sequence identity between the query and the homologue.
HETERO
419 pdb_id contact mol homologue
a3 description a4 identity[%]5 Ncon6 description
3brt[4] A IKKB_HUMAN IKKA_HUMAN Inhibitor of nuclear factor kappa-B kinase subunit.. B 100.0
/100.0		 16
/16		 NEMO_HUMAN NF-kappa-B essential modulator
3brv[4] A IKKB_HUMAN Inhibitor of nuclear factor kappa-B kinase subunit.. B 100.0
/100.0		 19
/19		 NEMO_HUMAN NF-kappa-B essential modulator
3cl3[2] A P88961_HHV8 ORF K13[172 aa] C 100.0
/100.0		 9
/9		 NEMO_HUMAN NF-kappa-B essential modulator
3cl3[2] B P88961_HHV8 ORF K13[165 aa] C 100.0
/100.0		 4
/4		 NEMO_HUMAN NF-kappa-B essential modulator
3jsv[1] A UBIQ_HUMAN Ubiquitin[76 aa] C 100.0
/91.6		 11
/11		 NEMO_MOUSE NF-kappa-B essential modulator
3jsv[1] A UBIQ_HUMAN Ubiquitin[76 aa] D 100.0
/89.7		 3
/3		 NEMO_MOUSE NF-kappa-B essential modulator
9azj[1] H UBB_HUMAN Ubiquitin[76 aa] A 83.3
/98.8		 6
/6		 NEMO_HUMAN NF-kappa-B essential modulator
9azj[1] I UBB_HUMAN Ubiquitin[76 aa] A 100.0
/98.8		 1
/1		 NEMO_HUMAN NF-kappa-B essential modulator
9azj[1] H UBB_HUMAN Ubiquitin[76 aa] B 100.0
/98.8		 4
/4		 NEMO_HUMAN NF-kappa-B essential modulator
9azj[1] I UBB_HUMAN Ubiquitin[76 aa] B 66.7
/98.8		 3
/3		 NEMO_HUMAN NF-kappa-B essential modulator
6xx0[2] C Ubv-LIN[76 aa] A 100.0
/97.3		 10
/10		 D3DWY0_HUMAN Inhibitor of kappa light polypeptide gene enhancer..
6xx0[2] D Ubv-LIN[76 aa] A 100.0
/97.3		 2
/2		 D3DWY0_HUMAN Inhibitor of kappa light polypeptide gene enhancer..
2v4h[4] C 1D5 DARPIN[125 aa] A 80.0
/90.9		 5
/5		 NEMO_MOUSE NF-KAPPA-B ESSENTIAL MODULATOR
2v4h[4] C 1D5 DARPIN[125 aa] A 66.7
/90.9		 6
/7		 NEMO_MOUSE NF-KAPPA-B ESSENTIAL MODULATOR
2v4h[4] D 1D5 DARPIN[128 aa] A 71.4
/90.9		 7
/7		 NEMO_MOUSE NF-KAPPA-B ESSENTIAL MODULATOR
2zvn[26] A Q96C32_HUMAN UBC protein[148 aa] C 87.5
/91.7		 8
/8		 NEMO_MOUSE NF-kappa-B essential modulator
7tv4[2] B UBC_HUMAN Polyubiquitin-C[147 aa] A 100.0
/100.0		 7
/7		 NEMO_HUMAN NF-kappa-B essential modulator
4owf[23] C RNF31_HUMAN E3 ubiquitin-protein ligase RNF31[29 aa] A 100.0
/91.6		 4
/4		 NEMO_MOUSE NF-kappa-B essential modulator
7tv4[1] E RNF31_HUMAN E3 ubiquitin-protein ligase RNF31[27 aa] C 100.0
/100.0		 5
/5		 NEMO_HUMAN NF-kappa-B essential modulator
3.a3:asym_id for the contact molecule. 4.a4:asym_id for the template homologue. 5.identity[%]5:sequence identity between the query and the template homologue only for the contact residues. Number after the slash / is sequence identity for all the aligned region. 6.Ncon6:number of aligned contact residues for the query. Number after the slash / is number of contact residues in the template homologue.
COMPOUND
419 pdb_id contact mol homologue
a3 description a4 identity[%]5 Ncon6 description
8u7c[5] F 9JE
pentane-1,5-diol[7 atoms] 		A 100.0
/89.5		 4
/4		 Engineered NEMO minimal IKK-binding domain
8u7c[5] G 9JE
pentane-1,5-diol[7 atoms] 		A 75.0
/89.5		 4
/4		 Engineered NEMO minimal IKK-binding domain
8u7c[1] K 9JE
pentane-1,5-diol[7 atoms] 		D 100.0
/87.3		 1
/1		 Engineered NEMO minimal IKK-binding domain
8u7c[2] H BTB
2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PR.. 		A 100.0
/89.5		 2
/2		 Engineered NEMO minimal IKK-binding domain
8u7c[2] U BTB
2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PR.. 		D 100.0
/87.3		 4
/4		 Engineered NEMO minimal IKK-binding domain
8u7c[1] W BTB
2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PR.. 		D 100.0
/87.3		 3
/3		 Engineered NEMO minimal IKK-binding domain
8u7c[1] I PRO
PROLINE[8 atoms] 		A 100.0
/89.5		 2
/2		 Engineered NEMO minimal IKK-binding domain
8u7c[1] N PRO
PROLINE[8 atoms] 		B 100.0
/90.9		 3
/3		 Engineered NEMO minimal IKK-binding domain
8u7c[1] N PRO
PROLINE[8 atoms] 		D 100.0
/87.3		 1
/1		 Engineered NEMO minimal IKK-binding domain
3.a3:asym_id for the contact molecule. 4.a4:asym_id for the template homologue. 5.identity[%]5:sequence identity between the query and the template homologue only for the contact residues. Number after the slash / is sequence identity for all the aligned region. 6.Ncon6:number of aligned contact residues for the query. Number after the slash / is number of contact residues in the template homologue.
METAL
419 pdb_id contact mol homologue
a3 description a4 identity[%]5 Ncon6 description
8u7c[1] E TB
TERBIUM(III) ION[1 atoms] 		A 100.0
/89.5		 2
/2		 Engineered NEMO minimal IKK-binding domain
8u7c[1] O TB
TERBIUM(III) ION[1 atoms] 		D 100.0
/87.3		 2
/2		 Engineered NEMO minimal IKK-binding domain
8u7c[1] P TB
TERBIUM(III) ION[1 atoms] 		D 100.0
/87.3		 1
/1		 Engineered NEMO minimal IKK-binding domain
8u7c[2] J YT3
YTTRIUM (III) ION[1 atoms] 		B 100.0
/90.9		 2
/2		 Engineered NEMO minimal IKK-binding domain
2jvx[2] B ZN
ZINC ION[1 atoms] 		A 100.0
/100.0		 4
/4		 NEMO_HUMAN NF-kappa-B essential modulator
2lo4[1] B ZN
ZINC ION[1 atoms] 		A 100.0
/65.4		 5
/5		 OPTN_HUMAN Optineurin
5aay[1] B ZN
ZINC ION[1 atoms] 		A 100.0
/100.0		 5
/5		 NEMO_HUMAN NF-KAPPA-B ESSENTIAL MODULATOR
5aaz[1] B ZN
ZINC ION[1 atoms] 		A 100.0
/65.4		 5
/5		 OPTN_HUMAN OPTINEURIN
9b12[1] M CL
CHLORIDE ION[1 atoms] 		C 100.0
/42.6		 1
/1		 OPTN_HUMAN Optineurin
9b12[1] M CL
CHLORIDE ION[1 atoms] 		D 0.0
/42.6		 1
/1		 OPTN_HUMAN Optineurin
3.a3:asym_id for the contact molecule. 4.a4:asym_id for the template homologue. 5.identity[%]5:sequence identity between the query and the template homologue only for the contact residues. Number after the slash / is sequence identity for all the aligned region. 6.Ncon6:number of aligned contact residues for the query. Number after the slash / is number of contact residues in the template homologue.
HOMO
419 pdb_id contact mol homologue
a3 description a4 identity[%]5 Ncon6 description
3brt[2] D NEMO_HUMAN NF-kappa-B essential modulator[62 aa] B 100.0
/100.0		 15
/15		 NEMO_HUMAN NF-kappa-B essential modulator
3brv[2] D NEMO_HUMAN NF-kappa-B essential modulator[62 aa] B 100.0
/100.0		 16
/16		 NEMO_HUMAN NF-kappa-B essential modulator
3cl3[2] D NEMO_HUMAN NF-kappa-B essential modulator[58 aa] C 100.0
/100.0		 17
/17		 NEMO_HUMAN NF-kappa-B essential modulator
3fx0[14] B NEMO_HUMAN NF-kappa-B essential modulator[71 aa] A 100.0
/100.0		 25
/25		 NEMO_HUMAN NF-kappa-B essential modulator
9azj[2] C NEMO_HUMAN NF-kappa-B essential modulator[73 aa] B 100.0
/98.8		 6
/6		 NEMO_HUMAN NF-kappa-B essential modulator
2v4h[2] A NEMO_MOUSE NF-KAPPA-B ESSENTIAL MODULATOR[98 aa] A 100.0
/90.9		 2
/4		 NEMO_MOUSE NF-KAPPA-B ESSENTIAL MODULATOR
2v4h[16] B NEMO_MOUSE NF-KAPPA-B ESSENTIAL MODULATOR[91 aa] A 92.1
/90.9		 38
/39		 NEMO_MOUSE NF-KAPPA-B ESSENTIAL MODULATOR
2v4h[2] A NEMO_MOUSE NF-KAPPA-B ESSENTIAL MODULATOR[98 aa] B 100.0
/90.9		 6
/6		 NEMO_MOUSE NF-KAPPA-B ESSENTIAL MODULATOR
8u7c[12] B Engineered NEMO minimal IKK-binding domain[59 aa] A 88.9
/89.5		 18
/18		 Engineered NEMO minimal IKK-binding domain
6mi3[4] B NEMO_HUMAN NF-kB ESSENTIAL MODULATOR,NF-kappa-B essential mod.. A 75.6
/75.6		 41
/57		 NEMO_HUMAN NF-kB ESSENTIAL MODULATOR,NF-kappa-B essential mod..
5wq4[4] C OPTN_MOUSE Optineurin[72 aa] B 50.0
/46.6		 18
/22		 OPTN_MOUSE Optineurin
9b0b[10] B OPTN_HUMAN Optineurin[83 aa] A 47.4
/42.6		 38
/44		 OPTN_HUMAN Optineurin
3.a3:asym_id for the contact molecule. 4.a4:asym_id for the template homologue. 5.identity[%]5:sequence identity between the query and the template homologue only for the contact residues. Number after the slash / is sequence identity for all the aligned region. 6.Ncon6:number of aligned contact residues for the query. Number after the slash / is number of contact residues in the template homologue.
PRECIPITANT
419 pdb_id contact mol homologue
a3 description a4 identity[%]5 Ncon6 description
8u7c[1] L PG4
TETRAETHYLENE GLYCOL[10 atoms] 		A 100.0
/89.5		 1
/1		 Engineered NEMO minimal IKK-binding domain
8u7c[1] T PG4
TETRAETHYLENE GLYCOL[13 atoms] 		A 100.0
/89.5		 3
/3		 Engineered NEMO minimal IKK-binding domain
8u7c[1] L PG4
TETRAETHYLENE GLYCOL[10 atoms] 		B 100.0
/90.9		 2
/2		 Engineered NEMO minimal IKK-binding domain
8u7c[2] T PG4
TETRAETHYLENE GLYCOL[13 atoms] 		B 100.0
/90.9		 3
/3		 Engineered NEMO minimal IKK-binding domain
9b0b[1] I PG4
TETRAETHYLENE GLYCOL[13 atoms] 		B 0.0
/42.6		 3
/3		 OPTN_HUMAN Optineurin
9b0b[1] N PG4
TETRAETHYLENE GLYCOL[13 atoms] 		D 66.7
/42.6		 3
/3		 OPTN_HUMAN Optineurin
9b0b[1] G PGE
TRIETHYLENE GLYCOL[7 atoms] 		A 50.0
/42.6		 2
/2		 OPTN_HUMAN Optineurin
9b0b[4] K PGE
TRIETHYLENE GLYCOL[6 atoms] 		A 100.0
/42.6		 1
/1		 OPTN_HUMAN Optineurin
9b0b[4] M PGE
TRIETHYLENE GLYCOL[9 atoms] 		A 33.3
/42.6		 3
/3		 OPTN_HUMAN Optineurin
9b0b[1] H PGE
TRIETHYLENE GLYCOL[9 atoms] 		B 100.0
/42.6		 4
/4		 OPTN_HUMAN Optineurin
9b0b[2] J PGE
TRIETHYLENE GLYCOL[10 atoms] 		B 0.0
/42.6		 4
/4		 OPTN_HUMAN Optineurin
9b0b[1] O PGE
TRIETHYLENE GLYCOL[7 atoms] 		D 75.0
/42.6		 4
/4		 OPTN_HUMAN Optineurin
9b0b[1] Q PGE
TRIETHYLENE GLYCOL[6 atoms] 		D 0.0
/42.6		 1
/1		 OPTN_HUMAN Optineurin
9b0b[1] Q PGE
TRIETHYLENE GLYCOL[6 atoms] 		E 33.3
/42.6		 3
/3		 OPTN_HUMAN Optineurin
9b12[1] N EPE
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACI.. 		D 50.0
/42.6		 4
/4		 OPTN_HUMAN Optineurin
3.a3:asym_id for the contact molecule. 4.a4:asym_id for the template homologue. 5.identity[%]5:sequence identity between the query and the template homologue only for the contact residues. Number after the slash / is sequence identity for all the aligned region. 6.Ncon6:number of aligned contact residues for the query. Number after the slash / is number of contact residues in the template homologue.