eF-site ID 4opx-D
PDB Code 4opx
Chain D

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Title Structure of Human PARP-1 bound to a DNA double strand break in complex with (2R)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
Classification TRANSFERASE/DNA/TRANSFERASE INHIBITOR
Compound Poly [ADP-ribose] polymerase 1
Source Homo sapiens (Human) (4OPX)
Sequence D:  DKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFD
GKVPHWYHFSCFWKVGHSIRHPDVEVDGFSELRWDDQQKV
KKTAEASKKEKDKDSKLEKALKAQNDLIWNIKDELKKVCS
TNDLKELLIFNKQQVPSGESAILDRVADGMVFGALLPCEE
CSGQLVFKSDAYYCTGDVTAWTKCMVKTQTPNRKEWVTPK
EFREISYLKKLKVKKQDRIFPP
Description


Functional site

1) chain D
residue 21
type
sequence C
description BINDING SITE FOR RESIDUE ZN D 401
source : AC4

2) chain D
residue 24
type
sequence C
description BINDING SITE FOR RESIDUE ZN D 401
source : AC4

3) chain D
residue 53
type
sequence H
description BINDING SITE FOR RESIDUE ZN D 401
source : AC4

4) chain D
residue 56
type
sequence C
description BINDING SITE FOR RESIDUE ZN D 401
source : AC4

5) chain D
residue 295
type
sequence C
description BINDING SITE FOR RESIDUE ZN D 402
source : AC5

6) chain D
residue 298
type
sequence C
description BINDING SITE FOR RESIDUE ZN D 402
source : AC5

7) chain D
residue 311
type
sequence C
description BINDING SITE FOR RESIDUE ZN D 402
source : AC5

8) chain D
residue 321
type
sequence C
description BINDING SITE FOR RESIDUE ZN D 402
source : AC5

9) chain D
residue 295
type MOD_RES
sequence C
description ADP-ribosylserine => ECO:0000269|PubMed:28190768, ECO:0000269|PubMed:29954836, ECO:0000269|PubMed:34210965, ECO:0000269|PubMed:34625544
source Swiss-Prot : SWS_FT_FI3

10) chain D
residue 298
type MOD_RES
sequence C
description ADP-ribosylserine => ECO:0000269|PubMed:28190768, ECO:0000269|PubMed:29954836, ECO:0000269|PubMed:34210965, ECO:0000269|PubMed:34625544
source Swiss-Prot : SWS_FT_FI3

11) chain D
residue 311
type MOD_RES
sequence C
description ADP-ribosylserine => ECO:0000269|PubMed:28190768, ECO:0000269|PubMed:29954836, ECO:0000269|PubMed:34210965, ECO:0000269|PubMed:34625544
source Swiss-Prot : SWS_FT_FI3

12) chain D
residue 321
type MOD_RES
sequence C
description ADP-ribosylserine => ECO:0000269|PubMed:28190768, ECO:0000269|PubMed:29954836, ECO:0000269|PubMed:34210965, ECO:0000269|PubMed:34625544
source Swiss-Prot : SWS_FT_FI3

13) chain D
residue 274
type MOD_RES
sequence S
description Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163
source Swiss-Prot : SWS_FT_FI8

14) chain D
residue 277
type MOD_RES
sequence S
description Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163
source Swiss-Prot : SWS_FT_FI8

15) chain D
residue 249
type CROSSLNK
sequence K
description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733
source Swiss-Prot : SWS_FT_FI10


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