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3S9I

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-4-dioxo-4-phenylbutanoic acid inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0000287molecular_functionmagnesium ion binding
A0001968molecular_functionfibronectin binding
A0003824molecular_functioncatalytic activity
A0004474molecular_functionmalate synthase activity
A0005515molecular_functionprotein binding
A0005518molecular_functioncollagen binding
A0005576cellular_componentextracellular region
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0005886cellular_componentplasma membrane
A0006097biological_processglyoxylate cycle
A0006099biological_processtricarboxylic acid cycle
A0009274cellular_componentpeptidoglycan-based cell wall
A0009436biological_processglyoxylate catabolic process
A0009986cellular_componentcell surface
A0015936biological_processcoenzyme A metabolic process
A0016740molecular_functiontransferase activity
A0042603cellular_componentcapsule
A0042803molecular_functionprotein homodimerization activity
A0043236molecular_functionlaminin binding
A0044406biological_processadhesion of symbiont to host
A0046810molecular_functionhost cell extracellular matrix binding
A0046872molecular_functionmetal ion binding
A0120225molecular_functioncoenzyme A binding
Functional Information from PDB Data
site_idAC1
Number of Residues13
DetailsBINDING SITE FOR RESIDUE XI7 A 742
ChainResidue
AARG339
AMG743
AHOH854
AHOH1252
AHOH1253
AGLU434
AGLY459
APHE460
ALEU461
AASP462
ATRP541
AMET631
AASP633

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 743
ChainResidue
AGLU434
AASP462
AXI7742
AHOH1252
AHOH1253

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 744
ChainResidue
AHOH964
AHOH1323
AHOH1324
AHOH1325
AHOH1326
AHOH1327

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 745
ChainResidue
AHIS235
AHOH1334
AHOH1336
AHOH1339
AHOH1364
AHOH1365

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsActive site: {"description":"Proton acceptor"}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues1
DetailsActive site: {"description":"Proton donor"}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues18
DetailsBinding site: {}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues1
DetailsModified residue: {"description":"Cysteine sulfenic acid (-SOH)","evidences":[{"source":"HAMAP-Rule","id":"MF_00641","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

246704

PDB entries from 2025-12-24

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