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4GME

Crystal structure of mannonate dehydratase (target EFI-502209) from caulobacter crescentus cb15 complexed with magnesium and d-mannonate

Functional Information from GO Data
ChainGOidnamespacecontents
A0000287molecular_functionmagnesium ion binding
A0008927molecular_functionmannonate dehydratase activity
A0009063biological_processamino acid catabolic process
A0016052biological_processcarbohydrate catabolic process
A0016829molecular_functionlyase activity
A0046872molecular_functionmetal ion binding
C0000287molecular_functionmagnesium ion binding
C0008927molecular_functionmannonate dehydratase activity
C0009063biological_processamino acid catabolic process
C0016052biological_processcarbohydrate catabolic process
C0016829molecular_functionlyase activity
C0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 501
ChainResidue
AASP234
AGLU260
AGLU286
AARG307
ACO3504
AHOH601

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL A 502
ChainResidue
AALA106
CVAL105
CCL502
AGLY102
AGLY103
AVAL105

site_idAC3
Number of Residues11
DetailsBINDING SITE FOR RESIDUE GOL A 503
ChainResidue
AASN61
AHIS236
AGLU286
AHIS336
AALA338
AASP340
ATRP426
ACO3504
AHOH845
CTYR99
CTRP100

site_idAC4
Number of Residues11
DetailsBINDING SITE FOR RESIDUE CO3 A 504
ChainResidue
AARG171
ATYR183
AASP234
AGLU260
AGLU286
AARG307
AGLU363
AMG501
AGOL503
AHOH602
AHOH845

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG C 501
ChainResidue
CASP234
CGLU260
CGLU286
CARG307
CCS2503
CHOH601

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CL C 502
ChainResidue
APRO104
AVAL105
ACL502
CGLY102
CGLY103
CVAL105
CALA106

site_idAC7
Number of Residues20
DetailsBINDING SITE FOR RESIDUE CS2 C 503
ChainResidue
ATYR99
ATRP100
CASN61
CARG171
CTYR183
CASP234
CHIS236
CGLU260
CGLU286
CARG307
CHIS336
CALA338
CASP340
CGLU363
CLEU413
CTRP426
CMG501
CHOH602
CHOH605
CHOH606

Functional Information from PROSITE/UniProt
site_idPS00908
Number of Residues26
DetailsMR_MLE_1 Mandelate racemase / muconate lactonizing enzyme family signature 1. AlAAVDmALwDIkGKvaglPVyqLLG
ChainResidueDetails
AALA109-GLY134

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: Proton donor/acceptor => ECO:0000250
ChainResidueDetails
ATYR183
AHIS236
CTYR183
CHIS236

site_idSWS_FT_FI2
Number of Residues12
DetailsBINDING:
ChainResidueDetails
CASN61
CGLU286
CARG307
CHIS336
CASP340
CGLU363
AASN61
AGLU286
AARG307
AHIS336
AASP340
AGLU363

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
CHIS146
AHIS146

site_idSWS_FT_FI4
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:24697546
ChainResidueDetails
CASP234
CGLU260
AGLU260
AASP234

site_idSWS_FT_FI5
Number of Residues2
DetailsSITE: Important for activity and substrate specificity; Ala is observed in family members with high D-mannonate dehydratase activity that have no activity with D-gluconate => ECO:0000250
ChainResidueDetails
AALA338
CALA338

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PDB entries from 2024-06-12

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