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3SB0

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic 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 Residues5
DetailsBINDING SITE FOR RESIDUE MG A 801
ChainResidue
AGLU434
AASP462
AI93802
AHOH901
AHOH902

site_idAC2
Number of Residues13
DetailsBINDING SITE FOR RESIDUE I93 A 802
ChainResidue
APHE460
ALEU461
AASP462
ATRP541
AMET631
AASP633
AMG801
AHOH901
AHOH932
AVAL118
AARG339
AGLU434
AGLY459

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 803
ChainResidue
AHOH1254
AHOH1257
AHOH1258
AHOH1260
AHOH1279
AHOH1287

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 804
ChainResidue
AHIS235
AHOH1266
AHOH1294
AHOH1297
AHOH1298
AHOH1300

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Proton acceptor
ChainResidueDetails
AARG339

site_idSWS_FT_FI2
Number of Residues1
DetailsACT_SITE: Proton donor
ChainResidueDetails
AASP633

site_idSWS_FT_FI3
Number of Residues12
DetailsBINDING:
ChainResidueDetails
AVAL118
APRO543
AGLY618
AASP633
AARG125
ASER275
ALYS305
AARG312
AARG339
AGLU434
AGLY459
AASP462

site_idSWS_FT_FI4
Number of Residues1
DetailsMOD_RES: Cysteine sulfenic acid (-SOH) => ECO:0000255|HAMAP-Rule:MF_00641
ChainResidueDetails
AALA619

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PDB entries from 2024-05-01

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