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6G2L

Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PMTMU

Functional Information from GO Data
ChainGOidnamespacecontents
A0008253molecular_function5'-nucleotidase activity
A0009264biological_processdeoxyribonucleotide catabolic process
Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue MG A 301
ChainResidue
AASP41
AASP43
AASP176
AEJ8303
AHOH414
AHOH432

site_idAC2
Number of Residues3
Detailsbinding site for residue BME A 302
ChainResidue
ACYS197
AGLN200
AHOH571

site_idAC3
Number of Residues25
Detailsbinding site for residue EJ8 A 303
ChainResidue
AASP41
AASP43
APHE49
APHE75
ATRP76
AVAL77
ATRP96
ATHR130
ASER131
AILE133
ALYS134
AARG163
ALYS165
AMG301
AHOH414
AHOH416
AHOH418
AHOH425
AHOH432
AHOH435
AHOH448
AHOH469
AHOH483
AHOH522
AHOH641

site_idAC4
Number of Residues9
Detailsbinding site for residue GOL A 304
ChainResidue
ASER27
AASN28
AALA119
ATHR124
AASP125
AVAL126
AGLN158
AHOH403
AHOH577

site_idAC5
Number of Residues6
Detailsbinding site for residue GOL A 305
ChainResidue
AARG37
AALA170
AASP171
ASER188
AHOH402
AHOH502

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

222624

PDB entries from 2024-07-17

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