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4MWO

Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor CPB-T

Functional Information from GO Data
ChainGOidnamespacecontents
A0008253molecular_function5'-nucleotidase activity
A0009264biological_processdeoxyribonucleotide catabolic process
Functional Information from PDB Data
site_idAC1
Number of Residues23
DetailsBINDING SITE FOR RESIDUE 2E2 A 301
ChainResidue
AASP43
AARG163
AK304
AGOL306
AGOL307
AHOH401
AHOH528
AHOH540
AHOH542
AHOH549
AHOH554
APHE49
AHOH575
AHOH576
AHOH633
AHOH634
APHE75
ATRP76
AVAL77
ASER78
ATRP96
ASER131
APRO132

site_idAC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE PO4 A 302
ChainResidue
AASP41
AMET42
AASP43
ATHR130
ASER131
ALYS143
ALYS165
AK304
AHOH401
AHOH402
AHOH528
AHOH549

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE K A 303
ChainResidue
AALA119
ALEU121
ATHR124
AHOH532
AHOH534
AHOH548

site_idAC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE K A 304
ChainResidue
AASP41
AASP43
AASP176
A2E2301
APO4302
AGOL306
AHOH402
AHOH575
AHOH576

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 305
ChainResidue
APRO65
APHE66
AHOH482

site_idAC6
Number of Residues14
DetailsBINDING SITE FOR RESIDUE GOL A 306
ChainResidue
AASP43
AGLU50
AARG72
APHE75
AVAL77
AASP176
AHIS198
A2E2301
AK304
AHOH422
AHOH575
AHOH576
AHOH578
AHOH634

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 307
ChainResidue
AARG163
AARG177
ATHR181
A2E2301
AHOH418
AHOH454
AHOH561

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Nucleophile
ChainResidueDetails
AASP41

site_idSWS_FT_FI2
Number of Residues1
DetailsACT_SITE: Proton donor => ECO:0000305
ChainResidueDetails
AASP43

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:12352955
ChainResidueDetails
AASP41
AASP176

site_idSWS_FT_FI4
Number of Residues8
DetailsBINDING:
ChainResidueDetails
AASP43
APHE49
APHE75
ATRP76
AVAL77
ATRP96
ATHR130
ALYS165

Catalytic Information from CSA
site_idMCSA1
Number of Residues3
DetailsM-CSA 812
ChainResidueDetails
AASP41covalently attached, metal ligand, nucleofuge, nucleophile
AASP43metal ligand
AASP176metal ligand

222415

PDB entries from 2024-07-10

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