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

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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 F:  AAVDPDSGLEHSAHVLEKGGKVFSATLGLVDIVKGTNSYY
KLQLLWIFRSWGRVGTVIGSNKLEQMPSKEDAIEHFMKLY
EEKTGNAWHSKNFTKYPKKFYPLEIDKSKLPKPVQDLIKM
IFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAYSILSE
VQQAVSQGSSDSQILDLSNRFYTLIPHDFGMKKPPLLNNA
DSVQAKVEMLDNLLDIEVAYSLLRGGSDDSSKDPIDVNYE
KLKTDIKVVDRDSEEAEIIRKYVKNTHATTHNAYDLEVID
IFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAGILSQ
GLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDP
IGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTT
PDPSANISLDGVDVPLGTGISSGVNDTSLLYNEYIVYDIA
QVNLKYLLKLKFNFKT
Description


Functional site

1) chain F
residue 988
type ACT_SITE
sequence E
description For poly [ADP-ribose] polymerase activity => ECO:0000305|PubMed:32028527, ECO:0000305|PubMed:7852410, ECO:0000305|PubMed:9315851
source Swiss-Prot : SWS_FT_FI1

2) chain F
residue 748
type CROSSLNK
sequence K
description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate => ECO:0007744|PubMed:25218447, ECO:0007744|PubMed:28112733
source Swiss-Prot : SWS_FT_FI11

3) chain F
residue 862
type BINDING
sequence H
description BINDING => ECO:0000250|UniProtKB:Q9UGN5
source Swiss-Prot : SWS_FT_FI2

4) chain F
residue 871
type BINDING
sequence G
description BINDING => ECO:0000250|UniProtKB:Q9UGN5
source Swiss-Prot : SWS_FT_FI2

5) chain F
residue 878
type BINDING
sequence R
description BINDING => ECO:0000250|UniProtKB:Q9UGN5
source Swiss-Prot : SWS_FT_FI2

6) chain F
residue 904
type BINDING
sequence S
description BINDING => ECO:0000250|UniProtKB:Q9UGN5
source Swiss-Prot : SWS_FT_FI2

7) chain F
residue 594
type MOD_RES
sequence T
description Phosphothreonine; by PRKDC => ECO:0000269|PubMed:35460603
source Swiss-Prot : SWS_FT_FI6

8) chain F
residue 600
type MOD_RES
sequence K
description N6-acetyllysine => ECO:0007744|PubMed:19608861
source Swiss-Prot : SWS_FT_FI7

9) chain F
residue 621
type MOD_RES
sequence K
description N6-acetyllysine => ECO:0007744|PubMed:19608861
source Swiss-Prot : SWS_FT_FI7

10) chain F
residue 782
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

11) chain F
residue 786
type MOD_RES
sequence S
description Phosphoserine => ECO:0007744|PubMed:23186163
source Swiss-Prot : SWS_FT_FI9


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