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3WNQ

Crystal structure of (R)-carbonyl reductase H49A mutant from Candida Parapsilosis in complex with 2-hydroxyacetophenone

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0004022molecular_functionalcohol dehydrogenase (NAD+) activity
A0008270molecular_functionzinc ion binding
A0016491molecular_functionoxidoreductase activity
A0046872molecular_functionmetal ion binding
B0000166molecular_functionnucleotide binding
B0004022molecular_functionalcohol dehydrogenase (NAD+) activity
B0008270molecular_functionzinc ion binding
B0016491molecular_functionoxidoreductase activity
B0046872molecular_functionmetal ion binding
C0000166molecular_functionnucleotide binding
C0004022molecular_functionalcohol dehydrogenase (NAD+) activity
C0008270molecular_functionzinc ion binding
C0016491molecular_functionoxidoreductase activity
C0046872molecular_functionmetal ion binding
D0000166molecular_functionnucleotide binding
D0004022molecular_functionalcohol dehydrogenase (NAD+) activity
D0008270molecular_functionzinc ion binding
D0016491molecular_functionoxidoreductase activity
D0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE HXT A 500
ChainResidue
ASER46
AASP154
APHE285

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 501
ChainResidue
ACYS44
AHIS65
AGLU66
AASP154

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 502
ChainResidue
ACYS101
ACYS109
ACYS95
ACYS98

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE HXT B 500
ChainResidue
AHOH629
BSER46
BASP154
BPHE285

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 501
ChainResidue
BCYS44
BHIS65
BGLU66
BASP154

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 502
ChainResidue
BCYS95
BCYS98
BCYS101
BCYS109

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE HXT C 500
ChainResidue
CSER46
CASP154
CPHE285
CHOH653

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN C 501
ChainResidue
CCYS44
CHIS65
CGLU66
CASP154

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN C 502
ChainResidue
CCYS95
CCYS98
CCYS101
CCYS109

site_idBC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE HXT D 500
ChainResidue
DSER46
DASP154
DPHE285

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN D 501
ChainResidue
DCYS44
DHIS65
DGLU66
DASP154

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN D 502
ChainResidue
DCYS95
DCYS98
DCYS101
DCYS109

Functional Information from PROSITE/UniProt
site_idPS00059
Number of Residues15
DetailsADH_ZINC Zinc-containing alcohol dehydrogenases signature. GHEiAGTvaavGddV
ChainResidueDetails
AGLY64-VAL78

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PDB entries from 2024-07-24

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