eF-site ID 2xzt-ABCDGH
PDB Code 2xzt
Chain A, B, C, D, G, H

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Title Caspase-3 in Complex with DARPin-3.4_I78S
Classification HYDROLASE/PROTEIN BINDING
Compound CASPASE-3
Source (2XZT)
Sequence A:  DNSYKMDYPEMGLCIIINNKNFHKSTGMTSRSGTDVDAAN
LRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSS
FVCVLLSHGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTG
KPKLFIIQAXRGTELDCGIET
B:  CHKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAML
KQYADKLEFMHILTRVNRKVATEFESFSFDATFHAKKQIP
CIVSMLTKELYFYH
C:  DNSYKMDYPEMGLCIIINNKNFHKSTGMTSRSGTDVDAAN
LRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSS
FVCVLLSHGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTG
KPKLFIIQAXRGTELDCGIETD
D:  HKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLK
QYADKLEFMHILTRVNRKVATEFESFSFDATFHAKKQIPC
IVSMLTKELYFYH
G:  DLGKKLLEATRAGQDDEVRILMANGADVNAMDDAGVTPLH
LAAKRGHLEIVEVLLKHGADVNASDSWGRTPLHLAATVGH
LEIVEVLLEYGADVNAQDKFGKTAFDISIDNGNEDLAEI
H:  DLGKKLLEATRAGQDDEVRILMANGADVNAMDDAGVTPLH
LAAKRGHLEIVEVLLKHGADVNASDSWGRTPLHLAATVGH
LEIVEVLLEYGADVNAQDKFGKTAFDISIDNGNEDLAEIL
Description


Functional site

1) chain C
residue 89
type
sequence N
description BINDING SITE FOR RESIDUE MRD C 1176
source : AC1

2) chain A
residue 107
type
sequence D
description BINDING SITE FOR RESIDUE MRD C 1177
source : AC2

3) chain C
residue 90
type
sequence D
description BINDING SITE FOR RESIDUE MRD C 1177
source : AC2

4) chain C
residue 95
type
sequence E
description BINDING SITE FOR RESIDUE MRD C 1177
source : AC2

5) chain A
residue 68
type
sequence D
description BINDING SITE FOR RESIDUE MRD A 1175
source : AC3

6) chain A
residue 87
type
sequence N
description BINDING SITE FOR RESIDUE MRD A 1175
source : AC3

7) chain A
residue 89
type
sequence N
description BINDING SITE FOR RESIDUE MRD A 1175
source : AC3

8) chain A
residue 163
type MOD_RES
sequence X
description S-nitrosocysteine; in inhibited form => ECO:0000269|PubMed:10213689
source Swiss-Prot : SWS_FT_FI2

9) chain C
residue 163
type MOD_RES
sequence X
description S-nitrosocysteine; in inhibited form => ECO:0000269|PubMed:10213689
source Swiss-Prot : SWS_FT_FI2

10) chain A
residue 62
type catalytic
sequence T
description 815
source MCSA : MCSA1

11) chain A
residue 63
type catalytic
sequence S
description 815
source MCSA : MCSA1

12) chain A
residue 121
type catalytic
sequence H
description 815
source MCSA : MCSA1

13) chain A
residue 122
type catalytic
sequence G
description 815
source MCSA : MCSA1

14) chain A
residue 163
type catalytic
sequence X
description 815
source MCSA : MCSA1

15) chain C
residue 62
type catalytic
sequence T
description 815
source MCSA : MCSA2

16) chain C
residue 63
type catalytic
sequence S
description 815
source MCSA : MCSA2

17) chain C
residue 121
type catalytic
sequence H
description 815
source MCSA : MCSA2

18) chain C
residue 122
type catalytic
sequence G
description 815
source MCSA : MCSA2

19) chain C
residue 163
type catalytic
sequence X
description 815
source MCSA : MCSA2

20) chain B
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_FI1

21) chain D
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_FI1

22) chain C
residue 121
type MOD_RES
sequence H
description (Microbial infection) ADP-riboxanated arginine => ECO:0000269|PubMed:35338844, ECO:0000269|PubMed:35446120, ECO:0000269|PubMed:36423631
source Swiss-Prot : SWS_FT_FI1

23) chain C
residue 163
type MOD_RES
sequence X
description (Microbial infection) ADP-riboxanated arginine => ECO:0000269|PubMed:35338844, ECO:0000269|PubMed:35446120, ECO:0000269|PubMed:36423631
source Swiss-Prot : SWS_FT_FI1

24) chain A
residue 108-122
type prosite
sequence HSKRSSFVCVLLSHG
description CASPASE_HIS Caspase family histidine active site. HskrsSfvCvLLSHG
source prosite : PS01121

25) chain A
residue 154-165
type prosite
sequence KPKLFIIQAXRG
description CASPASE_CYS Caspase family cysteine active site. KPKLFIIQACRG
source prosite : PS01122


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