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DOWNLOAD: [sequence-replaced 3D model] [for PyMOL] [3D template] [Modeller script]
ALL MOLECULES IN THE BIOLOGICAL UNIT: |
MOLECULES | contact sites | |||||
model | mark | query | asym_id oper (auth_asym_id) |
type | description | a(query A) |
1 | a | A(CATL1_HUMAN) | A 1 (A) | polymer(polypeptide(L)) [223 aa] | Cathepsin S :CATS_HUMAN | |
2 | b | D 1 (A) | non-polymer(BJV) | N-benzyl-1-{5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-2-methoxyphenyl}methanamine | 182L(F) 183M 185Y(T) 251A 252G(R) 257L(F) 273D(N) 274M(V) 275D(N) 276H 277G 302W 327A(F) (identity: 38.5 %/57.0 %) |
ALIGNMENTS |
MODEL[1] Protein A "queryA" TEMPLATE:5qci_A_1 identity=57.0% |
queryA 115:PRSVDWREKGYVTPVKNQGQCGSCWAFSATGALEGQMFRKTGRLISLSEQNLVDCSGPQ-GNEGCNGGLMDYAFQYVQDNGGLDSEESYPYEATEESCKY: 213 :* ******** ** ** ** ** ***** **** * *** * *** ******* ** ***** * **** ** * ** **** * * *: 5qci_A_1 3:PDSVDWREKGCVTEVKYQGSCGASWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQY: 102 SecStr : S EETTTTT B SSB HHHHHHHHHHHHHHHHHHS B HHHHHHHS GGGT TTB HHHHHHHHHHHT EEBTTTS SS : ExpBur :eeebbbeeeebbbebbebeebebbbbbbbbbbbbbbbeeeeeeeebbbbbbbbbbbeeebebebbeeeebbebbebbeeeebbbbeeebeeeeeeeeeee: Contact : bb b queryA 214:NPKYSVANDTGFVDIP-KQEKALMKAVATVGPISVAIDAGHESFLFYKEGIYFEPDCSSEDMDHGVLVVGYGFESTESDNNKYWLVKNSWGEEWGMGGYV: 312 : ** * * * * *** ** ** ** * ** * * * ** * ********* ********* * ** : 5qci_A_1 103:DSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSC-TQNVNHGVLVVGYG----DLNGKEYWLVKNSWGHNFGEEGYI: 197 SecStr : GGGEEE EEEE TT HHHHHHHHHHT EEEEE SHHHHT SSEE TT - S EEEEEEEEE----EETTEEEEEEE SB TTSTBTTEE: ExpBur :eeeeeebebeeeeebeeeebeebeebbbeebbbbbbbbbebeebeebeeebbebeeb-eeeeebbbbbbbbb----eeeeeebbbbbbbebeebbeebbb: Contact : bb b bbbbb b queryA 313:KMAKDRRNHCGIASAASYPTV: 333 : ** ******* *** : 5qci_A_1 198:RMARNKGNHCGIASFPSYPEI: 218 SecStr :EEE SSSSGGGTTTS EEEE : ExpBur :bbbbeeebbbbbbbebbbbbb: Contact : b |