|
|
eF-site ID
|
3kek-A |
|
PDB Code
|
3kek |
|
Chain
|
A |
|
click to enlarge
|
|
|
Title
|
Crystal Structure of Human MMP-13 complexed with a (pyridin-4-yl)-2H-tetrazole compound |
|
Classification
|
HYDROLASE/HYDROLASE INHIBITOR |
|
Compound
|
Collagenase 3 |
|
Source
|
Homo sapiens (Human) (MMP13_HUMAN) |
|
|
Sequence
|
A: |
YNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFK
VWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDGPSG
LLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHE
FGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQ
SLYG
|
|
|
Description
|
|
Functional site
|
|
|
1)
|
chain |
A |
| residue |
222 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE ZN A 901
|
| source |
: AC1
|
|
|
2)
|
chain |
A |
| residue |
226 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE ZN A 901
|
| source |
: AC1
|
|
|
3)
|
chain |
A |
| residue |
232 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE ZN A 901
|
| source |
: AC1
|
|
|
4)
|
chain |
A |
| residue |
172 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE ZN A 902
|
| source |
: AC2
|
|
|
5)
|
chain |
A |
| residue |
174 |
| type |
|
| sequence |
D
|
| description |
BINDING SITE FOR RESIDUE ZN A 902
|
| source |
: AC2
|
|
|
6)
|
chain |
A |
| residue |
187 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE ZN A 902
|
| source |
: AC2
|
|
|
7)
|
chain |
A |
| residue |
200 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE ZN A 902
|
| source |
: AC2
|
|
|
8)
|
chain |
A |
| residue |
179 |
| type |
|
| sequence |
D
|
| description |
BINDING SITE FOR RESIDUE CA A 903
|
| source |
: AC3
|
|
|
9)
|
chain |
A |
| residue |
180 |
| type |
|
| sequence |
G
|
| description |
BINDING SITE FOR RESIDUE CA A 903
|
| source |
: AC3
|
|
|
10)
|
chain |
A |
| residue |
182 |
| type |
|
| sequence |
S
|
| description |
BINDING SITE FOR RESIDUE CA A 903
|
| source |
: AC3
|
|
|
11)
|
chain |
A |
| residue |
184 |
| type |
|
| sequence |
L
|
| description |
BINDING SITE FOR RESIDUE CA A 903
|
| source |
: AC3
|
|
|
12)
|
chain |
A |
| residue |
202 |
| type |
|
| sequence |
D
|
| description |
BINDING SITE FOR RESIDUE CA A 903
|
| source |
: AC3
|
|
|
13)
|
chain |
A |
| residue |
205 |
| type |
|
| sequence |
E
|
| description |
BINDING SITE FOR RESIDUE CA A 903
|
| source |
: AC3
|
|
|
14)
|
chain |
A |
| residue |
161 |
| type |
|
| sequence |
A
|
| description |
BINDING SITE FOR RESIDUE CA A 904
|
| source |
: AC4
|
|
|
15)
|
chain |
A |
| residue |
162 |
| type |
|
| sequence |
D
|
| description |
BINDING SITE FOR RESIDUE CA A 904
|
| source |
: AC4
|
|
|
16)
|
chain |
A |
| residue |
194 |
| type |
|
| sequence |
N
|
| description |
BINDING SITE FOR RESIDUE CA A 904
|
| source |
: AC4
|
|
|
17)
|
chain |
A |
| residue |
196 |
| type |
|
| sequence |
G
|
| description |
BINDING SITE FOR RESIDUE CA A 904
|
| source |
: AC4
|
|
|
18)
|
chain |
A |
| residue |
198 |
| type |
|
| sequence |
D
|
| description |
BINDING SITE FOR RESIDUE CA A 904
|
| source |
: AC4
|
|
|
19)
|
chain |
A |
| residue |
128 |
| type |
|
| sequence |
D
|
| description |
BINDING SITE FOR RESIDUE CA A 905
|
| source |
: AC5
|
|
|
20)
|
chain |
A |
| residue |
203 |
| type |
|
| sequence |
D
|
| description |
BINDING SITE FOR RESIDUE CA A 905
|
| source |
: AC5
|
|
|
21)
|
chain |
A |
| residue |
205 |
| type |
|
| sequence |
E
|
| description |
BINDING SITE FOR RESIDUE CA A 905
|
| source |
: AC5
|
|
|
22)
|
chain |
A |
| residue |
140 |
| type |
|
| sequence |
K
|
| description |
BINDING SITE FOR RESIDUE 3EK A 801
|
| source |
: AC6
|
|
|
23)
|
chain |
A |
| residue |
215 |
| type |
|
| sequence |
N
|
| description |
BINDING SITE FOR RESIDUE 3EK A 801
|
| source |
: AC6
|
|
|
24)
|
chain |
A |
| residue |
217 |
| type |
|
| sequence |
F
|
| description |
BINDING SITE FOR RESIDUE 3EK A 801
|
| source |
: AC6
|
|
|
25)
|
chain |
A |
| residue |
218 |
| type |
|
| sequence |
L
|
| description |
BINDING SITE FOR RESIDUE 3EK A 801
|
| source |
: AC6
|
|
|
26)
|
chain |
A |
| residue |
219 |
| type |
|
| sequence |
V
|
| description |
BINDING SITE FOR RESIDUE 3EK A 801
|
| source |
: AC6
|
|
|
27)
|
chain |
A |
| residue |
222 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE 3EK A 801
|
| source |
: AC6
|
|
|
28)
|
chain |
A |
| residue |
238 |
| type |
|
| sequence |
A
|
| description |
BINDING SITE FOR RESIDUE 3EK A 801
|
| source |
: AC6
|
|
|
29)
|
chain |
A |
| residue |
239 |
| type |
|
| sequence |
L
|
| description |
BINDING SITE FOR RESIDUE 3EK A 801
|
| source |
: AC6
|
|
|
30)
|
chain |
A |
| residue |
241 |
| type |
|
| sequence |
F
|
| description |
BINDING SITE FOR RESIDUE 3EK A 801
|
| source |
: AC6
|
|
|
31)
|
chain |
A |
| residue |
243 |
| type |
|
| sequence |
I
|
| description |
BINDING SITE FOR RESIDUE 3EK A 801
|
| source |
: AC6
|
|
|
32)
|
chain |
A |
| residue |
244 |
| type |
|
| sequence |
Y
|
| description |
BINDING SITE FOR RESIDUE 3EK A 801
|
| source |
: AC6
|
|
|
33)
|
chain |
A |
| residue |
245 |
| type |
|
| sequence |
T
|
| description |
BINDING SITE FOR RESIDUE 3EK A 801
|
| source |
: AC6
|
|
|
34)
|
chain |
A |
| residue |
246 |
| type |
|
| sequence |
Y
|
| description |
BINDING SITE FOR RESIDUE 3EK A 801
|
| source |
: AC6
|
|
|
35)
|
chain |
A |
| residue |
247 |
| type |
|
| sequence |
T
|
| description |
BINDING SITE FOR RESIDUE 3EK A 801
|
| source |
: AC6
|
|
|
36)
|
chain |
A |
| residue |
249 |
| type |
|
| sequence |
K
|
| description |
BINDING SITE FOR RESIDUE 3EK A 801
|
| source |
: AC6
|
|
|
37)
|
chain |
A |
| residue |
250 |
| type |
|
| sequence |
S
|
| description |
BINDING SITE FOR RESIDUE 3EK A 801
|
| source |
: AC6
|
|
|
38)
|
chain |
A |
| residue |
255 |
| type |
|
| sequence |
P
|
| description |
BINDING SITE FOR RESIDUE 3EK A 801
|
| source |
: AC6
|
|
|
39)
|
chain |
A |
| residue |
116 |
| type |
CARBOHYD |
| sequence |
M
|
| description |
N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:8576151
|
| source |
Swiss-Prot : SWS_FT_FI4
|
|
|
40)
|
chain |
A |
| residue |
222 |
| type |
ACT_SITE |
| sequence |
H
|
| description |
ACT_SITE => ECO:0000305|PubMed:23913860
|
| source |
Swiss-Prot : SWS_FT_FI1
|
|
|
41)
|
chain |
A |
| residue |
127 |
| type |
BINDING |
| sequence |
P
|
| description |
BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
42)
|
chain |
A |
| residue |
201 |
| type |
BINDING |
| sequence |
F
|
| description |
BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
43)
|
chain |
A |
| residue |
202 |
| type |
BINDING |
| sequence |
D
|
| description |
BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
44)
|
chain |
A |
| residue |
204 |
| type |
BINDING |
| sequence |
D
|
| description |
BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
45)
|
chain |
A |
| residue |
161 |
| type |
BINDING |
| sequence |
A
|
| description |
BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
46)
|
chain |
A |
| residue |
178 |
| type |
BINDING |
| sequence |
F
|
| description |
BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
47)
|
chain |
A |
| residue |
179 |
| type |
BINDING |
| sequence |
D
|
| description |
BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
48)
|
chain |
A |
| residue |
181 |
| type |
BINDING |
| sequence |
P
|
| description |
BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
49)
|
chain |
A |
| residue |
183 |
| type |
BINDING |
| sequence |
G
|
| description |
BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
50)
|
chain |
A |
| residue |
193 |
| type |
BINDING |
| sequence |
P
|
| description |
BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
51)
|
chain |
A |
| residue |
195 |
| type |
BINDING |
| sequence |
Y
|
| description |
BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
52)
|
chain |
A |
| residue |
197 |
| type |
BINDING |
| sequence |
G
|
| description |
BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
53)
|
chain |
A |
| residue |
171 |
| type |
BINDING |
| sequence |
E
|
| description |
BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860
|
| source |
Swiss-Prot : SWS_FT_FI3
|
|
|
54)
|
chain |
A |
| residue |
173 |
| type |
BINDING |
| sequence |
G
|
| description |
BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860
|
| source |
Swiss-Prot : SWS_FT_FI3
|
|
|
55)
|
chain |
A |
| residue |
186 |
| type |
BINDING |
| sequence |
A
|
| description |
BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860
|
| source |
Swiss-Prot : SWS_FT_FI3
|
|
|
56)
|
chain |
A |
| residue |
199 |
| type |
BINDING |
| sequence |
A
|
| description |
BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860
|
| source |
Swiss-Prot : SWS_FT_FI3
|
|
|
57)
|
chain |
A |
| residue |
221 |
| type |
BINDING |
| sequence |
A
|
| description |
BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860
|
| source |
Swiss-Prot : SWS_FT_FI3
|
|
|
58)
|
chain |
A |
| residue |
225 |
| type |
BINDING |
| sequence |
G
|
| description |
BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860
|
| source |
Swiss-Prot : SWS_FT_FI3
|
|
|
59)
|
chain |
A |
| residue |
231 |
| type |
BINDING |
| sequence |
D
|
| description |
BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860
|
| source |
Swiss-Prot : SWS_FT_FI3
|
|
|
60)
|
chain |
A |
| residue |
239 |
| type |
BINDING |
| sequence |
L
|
| description |
BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860
|
| source |
Swiss-Prot : SWS_FT_FI3
|
|
|
61)
|
chain |
A |
| residue |
151 |
| type |
CARBOHYD |
| sequence |
L
|
| description |
N-linked (GlcNAc...) asparagine => ECO:0000255
|
| source |
Swiss-Prot : SWS_FT_FI5
|
|
|
62)
|
chain |
A |
| residue |
219-228 |
| type |
prosite |
| sequence |
VAAHEFGHSL
|
| description |
ZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. VAAHEFGHSL
|
| source |
prosite : PS00142
|
|
|
|