|
|
eF-site ID
|
2ow9-B |
|
PDB Code
|
2ow9 |
|
Chain
|
B |
|
click to enlarge
|
|
|
Title
|
Crystal structure analysis of the MMP13 catalytic domain in complex with specific inhibitor |
|
Classification
|
HYDROLASE |
|
Compound
|
Collagenase 3 |
|
Source
|
Homo sapiens (Human) (MMP13_HUMAN) |
|
|
Sequence
|
B: |
YNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFK
VWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDGPSG
LLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHE
FGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQ
SLYGPG
|
|
|
Description
|
|
Functional site
|
|
|
1)
|
chain |
B |
| residue |
201 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE ZN B 606
|
| source |
: AC6
|
|
|
2)
|
chain |
B |
| residue |
205 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE ZN B 606
|
| source |
: AC6
|
|
|
3)
|
chain |
B |
| residue |
211 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE ZN B 606
|
| source |
: AC6
|
|
|
4)
|
chain |
B |
| residue |
151 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE ZN B 607
|
| source |
: AC7
|
|
|
5)
|
chain |
B |
| residue |
153 |
| type |
|
| sequence |
D
|
| description |
BINDING SITE FOR RESIDUE ZN B 607
|
| source |
: AC7
|
|
|
6)
|
chain |
B |
| residue |
166 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE ZN B 607
|
| source |
: AC7
|
|
|
7)
|
chain |
B |
| residue |
179 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE ZN B 607
|
| source |
: AC7
|
|
|
8)
|
chain |
B |
| residue |
158 |
| type |
|
| sequence |
D
|
| description |
BINDING SITE FOR RESIDUE CA B 608
|
| source |
: AC8
|
|
|
9)
|
chain |
B |
| residue |
159 |
| type |
|
| sequence |
G
|
| description |
BINDING SITE FOR RESIDUE CA B 608
|
| source |
: AC8
|
|
|
10)
|
chain |
B |
| residue |
161 |
| type |
|
| sequence |
S
|
| description |
BINDING SITE FOR RESIDUE CA B 608
|
| source |
: AC8
|
|
|
11)
|
chain |
B |
| residue |
163 |
| type |
|
| sequence |
L
|
| description |
BINDING SITE FOR RESIDUE CA B 608
|
| source |
: AC8
|
|
|
12)
|
chain |
B |
| residue |
181 |
| type |
|
| sequence |
D
|
| description |
BINDING SITE FOR RESIDUE CA B 608
|
| source |
: AC8
|
|
|
13)
|
chain |
B |
| residue |
184 |
| type |
|
| sequence |
E
|
| description |
BINDING SITE FOR RESIDUE CA B 608
|
| source |
: AC8
|
|
|
14)
|
chain |
B |
| residue |
141 |
| type |
|
| sequence |
D
|
| description |
BINDING SITE FOR RESIDUE CA B 609
|
| source |
: AC9
|
|
|
15)
|
chain |
B |
| residue |
173 |
| type |
|
| sequence |
N
|
| description |
BINDING SITE FOR RESIDUE CA B 609
|
| source |
: AC9
|
|
|
16)
|
chain |
B |
| residue |
175 |
| type |
|
| sequence |
G
|
| description |
BINDING SITE FOR RESIDUE CA B 609
|
| source |
: AC9
|
|
|
17)
|
chain |
B |
| residue |
177 |
| type |
|
| sequence |
D
|
| description |
BINDING SITE FOR RESIDUE CA B 609
|
| source |
: AC9
|
|
|
18)
|
chain |
B |
| residue |
107 |
| type |
|
| sequence |
D
|
| description |
BINDING SITE FOR RESIDUE CA B 610
|
| source |
: BC1
|
|
|
19)
|
chain |
B |
| residue |
182 |
| type |
|
| sequence |
D
|
| description |
BINDING SITE FOR RESIDUE CA B 610
|
| source |
: BC1
|
|
|
20)
|
chain |
B |
| residue |
184 |
| type |
|
| sequence |
E
|
| description |
BINDING SITE FOR RESIDUE CA B 610
|
| source |
: BC1
|
|
|
21)
|
chain |
B |
| residue |
110 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE CA B 611
|
| source |
: BC2
|
|
|
22)
|
chain |
B |
| residue |
114 |
| type |
|
| sequence |
E
|
| description |
BINDING SITE FOR RESIDUE CA B 611
|
| source |
: BC2
|
|
|
23)
|
chain |
B |
| residue |
230 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE CA B 611
|
| source |
: BC2
|
|
|
24)
|
chain |
B |
| residue |
197 |
| type |
|
| sequence |
L
|
| description |
BINDING SITE FOR RESIDUE SP6 B 501
|
| source |
: BC5
|
|
|
25)
|
chain |
B |
| residue |
201 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE SP6 B 501
|
| source |
: BC5
|
|
|
26)
|
chain |
B |
| residue |
217 |
| type |
|
| sequence |
A
|
| description |
BINDING SITE FOR RESIDUE SP6 B 501
|
| source |
: BC5
|
|
|
27)
|
chain |
B |
| residue |
218 |
| type |
|
| sequence |
L
|
| description |
BINDING SITE FOR RESIDUE SP6 B 501
|
| source |
: BC5
|
|
|
28)
|
chain |
B |
| residue |
220 |
| type |
|
| sequence |
F
|
| description |
BINDING SITE FOR RESIDUE SP6 B 501
|
| source |
: BC5
|
|
|
29)
|
chain |
B |
| residue |
222 |
| type |
|
| sequence |
I
|
| description |
BINDING SITE FOR RESIDUE SP6 B 501
|
| source |
: BC5
|
|
|
30)
|
chain |
B |
| residue |
223 |
| type |
|
| sequence |
Y
|
| description |
BINDING SITE FOR RESIDUE SP6 B 501
|
| source |
: BC5
|
|
|
31)
|
chain |
B |
| residue |
224 |
| type |
|
| sequence |
T
|
| description |
BINDING SITE FOR RESIDUE SP6 B 501
|
| source |
: BC5
|
|
|
32)
|
chain |
B |
| residue |
225 |
| type |
|
| sequence |
Y
|
| description |
BINDING SITE FOR RESIDUE SP6 B 501
|
| source |
: BC5
|
|
|
33)
|
chain |
B |
| residue |
226 |
| type |
|
| sequence |
T
|
| description |
BINDING SITE FOR RESIDUE SP6 B 501
|
| source |
: BC5
|
|
|
34)
|
chain |
B |
| residue |
228 |
| type |
|
| sequence |
K
|
| description |
BINDING SITE FOR RESIDUE SP6 B 501
|
| source |
: BC5
|
|
|
35)
|
chain |
B |
| residue |
229 |
| type |
|
| sequence |
S
|
| description |
BINDING SITE FOR RESIDUE SP6 B 501
|
| source |
: BC5
|
|
|
36)
|
chain |
B |
| residue |
230 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE SP6 B 501
|
| source |
: BC5
|
|
|
37)
|
chain |
B |
| residue |
231 |
| type |
|
| sequence |
F
|
| description |
BINDING SITE FOR RESIDUE SP6 B 501
|
| source |
: BC5
|
|
|
38)
|
chain |
B |
| residue |
232 |
| type |
|
| sequence |
M
|
| description |
BINDING SITE FOR RESIDUE SP6 B 501
|
| source |
: BC5
|
|
|
39)
|
chain |
B |
| residue |
165 |
| type |
|
| sequence |
A
|
| description |
BINDING SITE FOR RESIDUE HAE B 502
|
| source |
: BC7
|
|
|
40)
|
chain |
B |
| residue |
201 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE HAE B 502
|
| source |
: BC7
|
|
|
41)
|
chain |
B |
| residue |
202 |
| type |
|
| sequence |
E
|
| description |
BINDING SITE FOR RESIDUE HAE B 502
|
| source |
: BC7
|
|
|
42)
|
chain |
B |
| residue |
211 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE HAE B 502
|
| source |
: BC7
|
|
|
43)
|
chain |
B |
| residue |
221 |
| type |
|
| sequence |
P
|
| description |
BINDING SITE FOR RESIDUE HAE B 502
|
| source |
: BC7
|
|
|
44)
|
chain |
B |
| residue |
202 |
| type |
ACT_SITE |
| sequence |
E
|
| description |
ACT_SITE => ECO:0000305|PubMed:23913860
|
| source |
Swiss-Prot : SWS_FT_FI1
|
|
|
45)
|
chain |
B |
| residue |
107 |
| 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
|
|
|
46)
|
chain |
B |
| residue |
141 |
| 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
|
|
|
47)
|
chain |
B |
| residue |
158 |
| 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 |
B |
| residue |
159 |
| 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
|
|
|
49)
|
chain |
B |
| residue |
161 |
| type |
BINDING |
| sequence |
S
|
| 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 |
B |
| residue |
163 |
| 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, ECO:0000269|PubMed:8969305
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
51)
|
chain |
B |
| residue |
173 |
| type |
BINDING |
| sequence |
N
|
| 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 |
B |
| residue |
175 |
| 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 |
B |
| residue |
177 |
| 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
|
|
|
54)
|
chain |
B |
| residue |
181 |
| 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
|
|
|
55)
|
chain |
B |
| residue |
182 |
| 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
|
|
|
56)
|
chain |
B |
| residue |
184 |
| 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, ECO:0000269|PubMed:8969305
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
57)
|
chain |
B |
| residue |
153 |
| 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
|
|
|
58)
|
chain |
B |
| residue |
166 |
| type |
BINDING |
| sequence |
H
|
| 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 |
B |
| residue |
179 |
| type |
BINDING |
| sequence |
H
|
| 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 |
B |
| residue |
201 |
| type |
BINDING |
| sequence |
H
|
| 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 |
B |
| residue |
205 |
| type |
BINDING |
| sequence |
H
|
| 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
|
|
|
62)
|
chain |
B |
| residue |
211 |
| type |
BINDING |
| sequence |
H
|
| 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
|
|
|
63)
|
chain |
B |
| residue |
219 |
| type |
BINDING |
| sequence |
M
|
| 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
|
|
|
64)
|
chain |
B |
| residue |
151 |
| type |
BINDING |
| sequence |
H
|
| 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
|
|
|
65)
|
chain |
B |
| residue |
96 |
| type |
CARBOHYD |
| sequence |
N
|
| description |
N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:8576151
|
| source |
Swiss-Prot : SWS_FT_FI4
|
|
|
66)
|
chain |
B |
| residue |
131 |
| type |
CARBOHYD |
| sequence |
N
|
| description |
N-linked (GlcNAc...) asparagine => ECO:0000255
|
| source |
Swiss-Prot : SWS_FT_FI5
|
|
|
|