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4K8G

Crystal structure of D-Mannonate dehydratase from Novosphingobium aromaticivorans mutant (V161A, R163A, K165G, L166A, Y167G, Y168A, E169G)

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
Functional Information from PDB Data
site_idAC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 501
ChainResidue
AASN37
ATRP76
AGLU262
AHIS312
AALA314
AASP316
ALEU389
ATRP402
AHOH889

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 502
ChainResidue
AASP210
AGLU236
AGLU262
AHOH666
AHOH1036

Functional Information from PROSITE/UniProt
site_idPS00908
Number of Residues26
DetailsMR_MLE_1 Mandelate racemase / muconate lactonizing enzyme family signature 1. AiAAVDmALwDIkAKmagmPLyqLLG
ChainResidueDetails
AALA85-GLY110

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton donor/acceptor => ECO:0000305|PubMed:17944491
ChainResidueDetails
ATYR159
AHIS212

site_idSWS_FT_FI2
Number of Residues7
DetailsBINDING:
ChainResidueDetails
AASN37
AHIS122
AGLU262
AARG283
AHIS312
AASP316
AGLU339

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:17944491
ChainResidueDetails
AASP210
AGLU236

site_idSWS_FT_FI4
Number of Residues1
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
ChainResidueDetails
AALA314

Catalytic Information from CSA
site_idMCSA1
Number of Residues9
DetailsM-CSA 960
ChainResidueDetails
AARG147modifies pKa
ATYR159proton acceptor, proton donor
AASP210metal ligand
AHIS212proton acceptor, proton donor
AGLU236metal ligand
AGLU262metal ligand
AARG283electrostatic stabiliser
AGLU339electrostatic stabiliser
ATRP402modifies pKa

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PDB entries from 2024-11-13

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