|
|
eF-site ID
|
1qx3-A |
|
PDB Code
|
1qx3 |
|
Chain
|
A |
|
click to enlarge
|
|
|
Title
|
Conformational restrictions in the active site of unliganded human caspase-3 |
|
Classification
|
HYDROLASE |
|
Compound
|
Apopain |
|
Source
|
null (CASP3_HUMAN) |
|
|
Sequence
|
A: |
NSYKMDYPEMGLCIIINNKNFHKSTGMTSRSGTDVDAANL
RETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSF
VCVLLSHGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTGK
PKLFIIQACRGTELDCGIEHKIPVDADFLYAYSTAPGYYS
WRNSKDGSWFIQSLCAMLKQYADKLEFMHILTRVNRKVAT
EFESFSFDATFHAKKQIPCIVSMLTKELYFYH
|
|
|
Description
|
|
Functional site
|
|
|
1)
|
chain |
A |
| residue |
121 |
| type |
ACT_SITE |
| sequence |
H
|
| description |
ACT_SITE => ECO:0000250|UniProtKB:P29466
|
| source |
Swiss-Prot : SWS_FT_FI1
|
|
|
2)
|
chain |
A |
| residue |
163 |
| type |
ACT_SITE |
| sequence |
C
|
| description |
ACT_SITE => ECO:0000250|UniProtKB:P29466
|
| source |
Swiss-Prot : SWS_FT_FI1
|
|
|
3)
|
chain |
A |
| residue |
163 |
| type |
MOD_RES |
| sequence |
C
|
| description |
S-nitrosocysteine; in inhibited form => ECO:0000269|PubMed:10213689
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
4)
|
chain |
A |
| residue |
62 |
| type |
catalytic |
| sequence |
T
|
| description |
815
|
| source |
MCSA : MCSA1
|
|
|
5)
|
chain |
A |
| residue |
63 |
| type |
catalytic |
| sequence |
S
|
| description |
815
|
| source |
MCSA : MCSA1
|
|
|
6)
|
chain |
A |
| residue |
121 |
| type |
catalytic |
| sequence |
H
|
| description |
815
|
| source |
MCSA : MCSA1
|
|
|
7)
|
chain |
A |
| residue |
122 |
| type |
catalytic |
| sequence |
G
|
| description |
815
|
| source |
MCSA : MCSA1
|
|
|
8)
|
chain |
A |
| residue |
163 |
| type |
catalytic |
| sequence |
C
|
| description |
815
|
| source |
MCSA : MCSA1
|
|
|
9)
|
chain |
A |
| residue |
207 |
| type |
MOD_RES |
| sequence |
R
|
| description |
(Microbial infection) ADP-riboxanated arginine => ECO:0000269|PubMed:35338844, ECO:0000269|PubMed:35446120, ECO:0000269|PubMed:36423631
|
| source |
Swiss-Prot : SWS_FT_FI3
|
|
|
10)
|
chain |
A |
| residue |
108-122 |
| type |
prosite |
| sequence |
HSKRSSFVCVLLSHG
|
| description |
CASPASE_HIS Caspase family histidine active site. HskrsSfvCvLLSHG
|
| source |
prosite : PS01121
|
|
|
11)
|
chain |
A |
| residue |
154-165 |
| type |
prosite |
| sequence |
KPKLFIIQACRG
|
| description |
CASPASE_CYS Caspase family cysteine active site. KPKLFIIQACRG
|
| source |
prosite : PS01122
|
|
|
|