Structure of PDB 3dc2 Chain B Binding Site BS01

Receptor Information
>3dc2 Chain B (length=523) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPVVLIADKLAPSTVAALGDQVEVRWVDGPDRDKLLAAVPEADALLVRSA
TTVDAEVLAAAPKLKIVARAGVGLDNVDVDAATARGVLVVNAPTSNIHSA
AEHALALLLAASRQIPAADASLREHTWKRSSFSGTEIFGKTVGVVGLGRI
GQLVAQRIAAFGAYVVAYDPYVSPARAAQLGIELLSLDDLLARADFISVH
LPKTPETAGLIDKEALAKTKPGVIIVNAARGGLVDEAALADAITGGHVRA
AGLDVFATEPCTDSPLFELAQVVVTPHLGASTAEAQDRAGTDVAESVRLA
LAGEFVPDAVNVGGGVVNEEVAPWLDLVRKLGVLAGVLSDELPVSLSVQV
RGELAAEEVEVLRLSALRGLFSAVIETFVNAPALAAERGVTAEICKASES
PNHRSVVDVRAVGADGSVVTVSGTLYGPQLSQKIVQINGRHFDLRAQGIN
LIIHYVDRPGALGKIGTLLGTAGVNIQAAQLSEDAEGPGATILLRLDQDV
PDDVRTAIAAAVDAYKLEVVDLS
Ligand information
Ligand IDSER
InChIInChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
InChIKeyMTCFGRXMJLQNBG-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CO)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)O
CACTVS 3.341N[C@@H](CO)C(O)=O
ACDLabs 10.04O=C(O)C(N)CO
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)O
FormulaC3 H7 N O3
NameSERINE
ChEMBLCHEMBL11298
DrugBankDB00133
ZINCZINC000000895034
PDB chain3dc2 Chain B Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3dc2 Structural analysis of substrate and effector binding in Mycobacterium tuberculosis D-3-phosphoglycerate dehydrogenase
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Y461 D463 R464
Binding residue
(residue number reindexed from 1)		Y455 D457 R458
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N99 R233 D257 E262 H280
Catalytic site (residue number reindexed from 1) N96 R230 D254 E259 H277
Enzyme Commision number 1.1.1.399: 2-oxoglutarate reductase.
1.1.1.95: phosphoglycerate dehydrogenase.
Gene Ontology
Molecular Function
GO:0004617 phosphoglycerate dehydrogenase activity
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0051287 NAD binding
Biological Process
GO:0006564 L-serine biosynthetic process
Cellular Component
GO:0005886 plasma membrane
GO:0009274 peptidoglycan-based cell wall

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3dc2, PDBe:3dc2, PDBj:3dc2
PDBsum3dc2
PubMed18627175
UniProtP9WNX3|SERA_MYCTU D-3-phosphoglycerate dehydrogenase (Gene Name=serA)

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