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6GHK

Human PARP1 (ARTD1) - Catalytic domain in complex with inhibitor ME0527

Functional Information from GO Data
ChainGOidnamespacecontents
A0003950molecular_functionNAD+ ADP-ribosyltransferase activity
B0003950molecular_functionNAD+ ADP-ribosyltransferase activity
Functional Information from PDB Data
site_idAC1
Number of Residues18
Detailsbinding site for residue EZ2 A 1101
ChainResidue
ATYR710
AGLY894
ATYR896
APHE897
ASER904
ATYR907
AGLU988
AHOH1211
AHOH1274
AHOH1281
AASP766
ALEU769
AHIS862
AGLY863
AARG878
AILE879
AALA880
ATYR889

site_idAC2
Number of Residues7
Detailsbinding site for residue SO4 A 1102
ChainResidue
ASER702
ALYS703
AARG704
AHOH1258
AHOH1294
BLYS798
BGLN875

site_idAC3
Number of Residues7
Detailsbinding site for residue SO4 A 1103
ChainResidue
AARG865
AASN906
AHIS909
AHOH1206
AHOH1224
BALA1012
BHIS1013

site_idAC4
Number of Residues7
Detailsbinding site for residue SO4 A 1104
ChainResidue
AALA1012
AHIS1013
AHOH1239
BARG865
BASN906
BHIS909
BHOH1222

site_idAC5
Number of Residues7
Detailsbinding site for residue SO4 A 1105
ChainResidue
ALYS903
ALEU984
ALEU985
ATYR986
AHOH1223
BHIS1014
BHIS1016

site_idAC6
Number of Residues17
Detailsbinding site for residue EZ2 B 1101
ChainResidue
BTYR710
BASP766
BHIS862
BGLY863
BARG878
BALA880
BPRO881
BTYR889
BGLY894
BTYR896
BPHE897
BSER904
BTYR907
BGLU988
BHOH1242
BHOH1251
BHOH1263

site_idAC7
Number of Residues6
Detailsbinding site for residue SO4 B 1102
ChainResidue
ALYS798
AGLN875
BSER702
BLYS703
BARG704
BHOH1236

site_idAC8
Number of Residues7
Detailsbinding site for residue SO4 B 1103
ChainResidue
AHIS1014
BLYS903
BLEU984
BLEU985
BTYR986
BHOH1208
BHOH1216

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: For poly [ADP-ribose] polymerase activity => ECO:0000305|PubMed:32028527, ECO:0000305|PubMed:7852410, ECO:0000305|PubMed:9315851
ChainResidueDetails
AGLU988
BGLU988

site_idSWS_FT_FI2
Number of Residues8
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:Q9UGN5
ChainResidueDetails
AHIS862
AGLY871
AARG878
ASER904
BHIS862
BGLY871
BARG878
BSER904

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163
ChainResidueDetails
ASER782
BSER782

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163
ChainResidueDetails
ASER786
BSER786

site_idSWS_FT_FI5
Number of Residues4
DetailsCROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate => ECO:0007744|PubMed:25218447, ECO:0007744|PubMed:28112733
ChainResidueDetails
ALYS748
BLYS748

218853

PDB entries from 2024-04-24

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