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2PMQ

Crystal structure of a mandelate racemase/muconate lactonizing enzyme from Roseovarius sp. HTCC2601

Functional Information from GO Data
ChainGOidnamespacecontents
A0000287molecular_functionmagnesium ion binding
A0003824molecular_functioncatalytic activity
A0006579biological_processamino-acid betaine catabolic process
A0016853molecular_functionisomerase activity
A0016855molecular_functionracemase and epimerase activity, acting on amino acids and derivatives
A0036361molecular_functionracemase activity, acting on amino acids and derivatives
A0046872molecular_functionmetal ion binding
B0000287molecular_functionmagnesium ion binding
B0003824molecular_functioncatalytic activity
B0006579biological_processamino-acid betaine catabolic process
B0016853molecular_functionisomerase activity
B0016855molecular_functionracemase and epimerase activity, acting on amino acids and derivatives
B0036361molecular_functionracemase activity, acting on amino acids and derivatives
B0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 901
ChainResidue
AHOH1056
AHOH1250
AHOH1258
BHOH1038
BHOH1074
BHOH1163

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MG A 902
ChainResidue
AASP241
AHOH913
AHOH965
AHOH1239
AASP193
AASN195
AGLU218

site_idAC3
Number of Residues12
DetailsBINDING SITE FOR RESIDUE MG A 903
ChainResidue
AHIS235
AHIS235
AHIS235
AHIS235
AHOH945
AHOH945
AHOH945
AHOH945
AHOH1118
AHOH1118
AHOH1118
AHOH1118

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG B 904
ChainResidue
BASP193
BGLU218
BASP241
BHOH921
BHOH933
BHOH1005

site_idAC5
Number of Residues12
DetailsBINDING SITE FOR RESIDUE MG B 905
ChainResidue
BHIS235
BHIS235
BHIS235
BHIS235
BHOH963
BHOH963
BHOH963
BHOH963
BHOH1134
BHOH1134
BHOH1134
BHOH1134

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: Proton donor/acceptor => ECO:0000250
ChainResidueDetails
ALYS163
ALYS265
BLYS163
BLYS265

site_idSWS_FT_FI2
Number of Residues12
DetailsBINDING:
ChainResidueDetails
ATYR56
BGLU218
BASP241
BALA294
AGLN161
AASP193
AGLU218
AASP241
AALA294
BTYR56
BGLN161
BASP193

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1r6w
ChainResidueDetails
ALYS265
ALYS163

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1r6w
ChainResidueDetails
BLYS265
BLYS163

site_idMCSA1
Number of Residues6
DetailsM-CSA 940
ChainResidueDetails
ALYS163proton shuttle (general acid/base)
AASP193metal ligand
AGLU218metal ligand
AASP241metal ligand
ALYS265proton shuttle (general acid/base)
ATRP320electrostatic stabiliser

site_idMCSA2
Number of Residues6
DetailsM-CSA 940
ChainResidueDetails
BLYS163proton shuttle (general acid/base)
BASP193metal ligand
BGLU218metal ligand
BASP241metal ligand
BLYS265proton shuttle (general acid/base)
BTRP320electrostatic stabiliser

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PDB entries from 2024-05-01

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