eF-site ID 2y0b-ABCDGH
PDB Code 2y0b
Chain A, B, C, D, G, H

click to enlarge
Title Caspase-3 in Complex with an Inhibitory DARPin-3.4_S76R
Classification HYDROLASE/PROTEIN BINDING
Compound CASPASE-3 SUBUNIT P17
Source (2Y0B)
Sequence A:  DNSYKMDYPEMGLCIIINNKNFHKSTGMTSRSGTDVDAAN
LRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSS
FVCVLLSHGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTG
KPKLFIIQAXRGTELDCGIET
B:  CHKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAML
KQYADKLEFMHILTRVNRKVATEFESFSFDATFHAKKQIP
CIVSMLTKELYFYH
C:  DNSYKMDYPEMGLCIIINNKNFHKSTGMTSRSGTDVDAAN
LRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSS
FVCVLLSHGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTG
KPKLFIIQAXRGTELDCGIET
D:  HKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLK
QYADKLEFMHILTRVNRKVATEFESFSFDATFHAKKQIPC
IVSMLTKELYFYH
G:  DLGKKLLEATRAGQDDEVRILMANGADVNAMDDAGVTPLH
LAAKRGHLEIVEVLLKHGADVNARDIWGRTPLHLAATVGH
LEIVEVLLEYGADVNAQDKFGKTAFDISIDNGNEDLAEI
H:  DLGKKLLEATRAGQDDEVRILMANGADVNAMDDAGVTPLH
LAAKRGHLEIVEVLLKHGADVNARDIWGRTPLHLAATVGH
LEIVEVLLEYGADVNAQDKFGKTAFDISIDNGNEDLAEIL
Description


Functional site

1) chain A
residue 88
type
sequence K
description BINDING SITE FOR RESIDUE MPD A 1175
source : AC1

2) chain A
residue 89
type
sequence N
description BINDING SITE FOR RESIDUE MPD A 1175
source : AC1

3) chain A
residue 90
type
sequence D
description BINDING SITE FOR RESIDUE MPD A 1175
source : AC1

4) chain A
residue 91
type
sequence L
description BINDING SITE FOR RESIDUE MPD A 1175
source : AC1

5) chain A
residue 65
type
sequence S
description BINDING SITE FOR RESIDUE MPD B 1278
source : AC2

6) chain B
residue 207
type
sequence R
description BINDING SITE FOR RESIDUE MPD B 1278
source : AC2

7) chain B
residue 209
type
sequence S
description BINDING SITE FOR RESIDUE MPD B 1278
source : AC2

8) chain G
residue 78
type
sequence I
description BINDING SITE FOR RESIDUE MPD B 1278
source : AC2

9) chain C
residue 71
type
sequence A
description BINDING SITE FOR RESIDUE MRD C 1175
source : AC3

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

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

12) chain A
residue 51
type
sequence N
description BINDING SITE FOR RESIDUE MRD A 1176
source : AC4

13) chain A
residue 68
type
sequence D
description BINDING SITE FOR RESIDUE MRD A 1176
source : AC4

14) chain A
residue 71
type
sequence A
description BINDING SITE FOR RESIDUE MRD A 1176
source : AC4

15) chain A
residue 87
type
sequence N
description BINDING SITE FOR RESIDUE MRD A 1176
source : AC4

16) chain A
residue 89
type
sequence N
description BINDING SITE FOR RESIDUE MRD A 1176
source : AC4

17) 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

18) 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

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

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

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

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

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

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

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

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

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

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

29) 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

30) 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

31) 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

32) 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

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

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


Display surface

Download
Links