Structure of PDB 4njm Chain B Binding Site BS01

Receptor Information
>4njm Chain B (length=303) Species: 5759 (Entamoeba histolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASMKIVVITEKPFAENAVKGIREILEKAGHEVVMIEKYKKKEDVIERIKD
ADGVIVRSDKIDEEIIKAGEKVKIIVRAGAGYDNIDIEACNQGKIVVMNT
PGQNRNGVAELCIGMMIFGFRKGFKEGKGRELKDKTLGICGCGYVGKRVK
EIAEGIGMKIKVYDPFITTENQVKKIEELFEECQVISLHLPLTKETKGKI
GYELIKKLPYGGMICNTARKEIIDEEGLIRIMREREDLIYITDVAPTSKV
FNNEFKGRFFATPIKIGAETEESNINAGMAAASQICDFFTNGTVKFQVNK
FLE
Ligand information
Ligand ID3PG
InChIInChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
InChIKeyOSJPPGNTCRNQQC-UWTATZPHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(=O)O)O)OP(=O)(O)O
CACTVS 3.341O[C@H](CO[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@H](C(=O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)C(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(=O)O
FormulaC3 H7 O7 P
Name3-PHOSPHOGLYCERIC ACID
ChEMBLCHEMBL1160563
DrugBankDB04510
ZINCZINC000003869934
PDB chain4njm Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4njm Crystal structures and kinetics of Type III 3-phosphoglycerate dehydrogenase reveal catalysis by lysine.
Resolution1.79 Å
Binding residue
(original residue number in PDB)		K9 R55 S56 R75 G77 A78 G79 N102 R217 K263 A266
Binding residue
(residue number reindexed from 1)		K11 R57 S58 R77 G79 A80 G81 N104 R219 K265 A268
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) N102 R217 D241 S246 K263
Catalytic site (residue number reindexed from 1) N104 R219 D243 S248 K265
Enzyme Commision number 1.1.1.95: phosphoglycerate dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004617 phosphoglycerate dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0042802 identical protein binding
GO:0051287 NAD binding

View graph for
Molecular Function
External links
PDB RCSB:4njm, PDBe:4njm, PDBj:4njm
PDBsum4njm
PubMed25294608
UniProtQ76KF5

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