eF-site ID 6nri-A
PDB Code 6nri
Chain A

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Title Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT83
Classification transferase/transferase inhibitor
Compound Poly [ADP-ribose] polymerase 1
Source (PARP1_HUMAN)
Sequence A:  KSKLPKPVQDLIKMIFGGDPIDVNYEKLKTDIKVVDRDSE
EAEIIRKYVKNTHATTHNAYDLEVIDIFKIEREGECQRYK
PFKQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGY
MFGKGIYFADMVSKSANYCHTSQGDPIGLILLGEVALGNM
YELKHASHISKLPKGKHSVKGLGKTTPDPSANISLDGVDV
PLGTGISSGVNDTSLLYNEYIVYDIAQVNLKYLLKLKFNF
K
Description


Functional site

1) chain A
residue 862
type
sequence H
description binding site for residue KYM A 1101
source : AC1

2) chain A
residue 863
type
sequence G
description binding site for residue KYM A 1101
source : AC1

3) chain A
residue 865
type
sequence R
description binding site for residue KYM A 1101
source : AC1

4) chain A
residue 868
type
sequence N
description binding site for residue KYM A 1101
source : AC1

5) chain A
residue 888
type
sequence G
description binding site for residue KYM A 1101
source : AC1

6) chain A
residue 889
type
sequence Y
description binding site for residue KYM A 1101
source : AC1

7) chain A
residue 896
type
sequence Y
description binding site for residue KYM A 1101
source : AC1

8) chain A
residue 897
type
sequence F
description binding site for residue KYM A 1101
source : AC1

9) chain A
residue 904
type
sequence S
description binding site for residue KYM A 1101
source : AC1

10) chain A
residue 907
type
sequence Y
description binding site for residue KYM A 1101
source : AC1

11) chain A
residue 766
type
sequence K
description binding site for residue CIT A 1102
source : AC2

12) chain A
residue 826
type
sequence H
description binding site for residue CIT A 1102
source : AC2

13) chain A
residue 903
type
sequence K
description binding site for residue CIT A 1102
source : AC2

14) chain A
residue 907
type
sequence Y
description binding site for residue CIT A 1102
source : AC2

15) chain A
residue 984
type
sequence L
description binding site for residue CIT A 1102
source : AC2

16) chain A
residue 985
type
sequence L
description binding site for residue CIT A 1102
source : AC2

17) chain A
residue 986
type
sequence Y
description binding site for residue CIT A 1102
source : AC2

18) chain A
residue 862
type
sequence H
description binding site for residue DMS A 1103
source : AC3

19) chain A
residue 878
type
sequence R
description binding site for residue DMS A 1103
source : AC3

20) chain A
residue 889
type
sequence Y
description binding site for residue DMS A 1103
source : AC3

21) chain A
residue 894
type
sequence G
description binding site for residue DMS A 1103
source : AC3

22) chain A
residue 895
type
sequence I
description binding site for residue DMS A 1103
source : AC3

23) chain A
residue 896
type
sequence Y
description binding site for residue DMS A 1103
source : AC3

24) chain A
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

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

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

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

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


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