MOLECULES |
contact sites |
model |
mark |
query |
asym_id oper (auth_asym_id) |
type |
description |
a(query A) |
1
|
a |
A(CATL1_HUMAN)
| A 1 (AAA) |
polymer(polypeptide(L))
[220 aa] |
Cathepsin S
:CATS_HUMAN
|
|
2
|
b |
| B 1 (BBB) |
polymer(polypeptide(L))
[220 aa] |
Cathepsin S
:CATS_HUMAN
|
172P(E) 173Q(K) 174G 176E(K) 185Y(T) 188Q 192D 225F(Y) 227D(E) 229P 272E(Q) 273D(N) 327A(F)
(identity: 30.8 %/57.5 %)
|
3
|
c |
| C 1 (AAA) |
non-polymer(SO4)
|
SULFATE ION
|
132Q 136G 138C 276H 302W
(identity: 100.0 %/57.5 %)
|
4
|
d |
| D 1 (AAA) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
265F(Y) 318R(K)
(identity: 0.0 %/57.5 %)
|
5
|
e |
| E 1 (AAA) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
127T 128P(E) 158L 160S
(identity: 75.0 %/57.5 %)
|
6
|
f |
| F 1 (AAA) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
251A 252G(R) 257L(F) 275D(N) 276H 302W
(identity: 50.0 %/57.5 %)
|
7
|
g |
| G 1 (AAA) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
215P(S) 218S(R)
(identity: 0.0 %/57.5 %)
|
8
|
h |
| H 1 (AAA) |
non-polymer(DMS)
|
DIMETHYL SULFOXIDE
|
189Y 192D 193N
(identity: 100.0 %/57.5 %)
|
9
|
i |
| I 1 (AAA) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
197D 201S 202Y 212K(Q) 214N(D) 217Y
(identity: 66.7 %/57.5 %)
|
10
|
j |
| J 1 (AAA) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
236M(K) 294K(E) 316K(R) 317D(N)
(identity: 0.0 %/57.5 %)
|
11
|
k |
| K 1 (AAA) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
225F(Y) 226V(T) 227D(E)
(identity: 0.0 %/57.5 %)
|
12
|
l |
| L 1 (AAA) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
130K 131N(Y) 204Y
(identity: 66.7 %/57.5 %)
|
13
|
m |
| M 1 (AAA) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
117S 118V 119D 283Y 295Y 297L
(identity: 100.0 %/57.5 %)
|
14
|
n |
| N 1 (AAA) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
152F(K) 157R(K) 158L
(identity: 33.3 %/57.5 %)
|
15
|
o |
| O 1 (AAA) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
131N(Y) 303G 304E(H)
(identity: 33.3 %/57.5 %)
|
16
|
p |
| P 1 (AAA) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
290S(L) 313K(R)
(identity: 0.0 %/57.5 %)
|
17
|
q |
| Q 1 (AAA) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
122E 123K
(identity: 100.0 %/57.5 %)
|
18
|
r |
| R 1 (AAA) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
173Q(K)
(identity: 0.0 %/57.5 %)
|
19
|
s |
| S 1 (AAA) |
non-polymer(Q1K)
|
6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
|
181G 182L(F) 183M 227D(E) 248A(G) 274M(V) 275D(N) 276H 277G 327A(F)
(identity: 40.0 %/57.5 %)
|
20
|
t |
| T 1 (BBB) |
non-polymer(SO4)
|
SULFATE ION
|
|
21
|
u |
| U 1 (BBB) |
non-polymer(FLC)
|
CITRATE ANION
|
|
22
|
v |
| V 1 (BBB) |
non-polymer(SO4)
|
SULFATE ION
|
|
23
|
w |
| W 1 (BBB) |
non-polymer(SO4)
|
SULFATE ION
|
|
24
|
x |
| X 1 (BBB) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
|
25
|
y |
| Y 1 (BBB) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
|
26
|
z |
| Z 1 (BBB) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
|
27
|
1 |
| AA 1 (BBB) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
|
28
|
2 |
| BA 1 (BBB) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
|
29
|
3 |
| CA 1 (BBB) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
|
30
|
4 |
| DA 1 (BBB) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
|
31
|
5 |
| EA 1 (BBB) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
|
32
|
6 |
| FA 1 (BBB) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
|
33
|
7 |
| GA 1 (BBB) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
227D(E) 228I(L)
(identity: 0.0 %/57.5 %)
|
34
|
8 |
| HA 1 (BBB) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
|
35
|
9 |
| IA 1 (BBB) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
|
36
|
A |
| JA 1 (BBB) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
|
37
|
B |
| KA 1 (BBB) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
|
38
|
C |
| LA 1 (BBB) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
|
39
|
D |
| MA 1 (BBB) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
|
40
|
E |
| NA 1 (BBB) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
319R(G)
(identity: 0.0 %/57.5 %)
|
41
|
F |
| OA 1 (BBB) |
non-polymer(EDO)
|
1,2-ETHANEDIOL
|
|
42
|
G |
| PA 1 (BBB) |
non-polymer(Q1K)
|
6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
|
182L(F) 227D(E)
(identity: 0.0 %/57.5 %)
|