Structure of PDB 1z82 Chain B Binding Site BS01

Receptor Information
>1z82 Chain B (length=312) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRFFVLGAGSWGTVFAQMLHENGEEVILWARRKEIVDLINVSHTSPYVEE
SKITVRATNDLEEIKKEDILVIAIPVQYIREHLLRLPVKPSMVLNLSKGI
EIKTGKRVSEIVEEILGCPYAVLSGPSHAEEVAKKLPTAVTLAGENSKEL
QKRISTEYFRVYTCEDVVGVEIAGALKNVIAIAAGILDGFGGWDNAKAAL
ETRGIYEIARFGMFFGADQKTFMGLAGIGDLMVTCNSRYSRNRRFGELIA
RGFNPLKLLESSNQVVEGAFTVKAVMKIAKENKIDMPISEEVYRVVYEGK
PPLQSMRDLMRR
Ligand information
Ligand IDG3H
InChIInChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1
InChIKeyLXJXRIRHZLFYRP-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C([C@H](C=O)O)OP(=O)(O)O
OpenEye OEToolkits 1.7.0C(C(C=O)O)OP(=O)(O)O
CACTVS 3.370O[CH](CO[P](O)(O)=O)C=O
ACDLabs 12.01O=P(OCC(O)C=O)(O)O
CACTVS 3.370O[C@H](CO[P](O)(O)=O)C=O
FormulaC3 H7 O6 P
NameGLYCERALDEHYDE-3-PHOSPHATE
ChEMBLCHEMBL1232918
DrugBankDB02263
ZINCZINC000003869936
PDB chain1z82 Chain A Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1z82 Crystal structure of glycerol-3-phosphate dehydrogenase (TM0378) from Thermotoga maritima at 2.00 A resolution
Resolution2.0 Å
Binding residue
(original residue number in PDB)		K100 H130 K179 D232 T236 S242 R243 N244
Binding residue
(residue number reindexed from 1)		K98 H128 K177 D230 T234 S240 R241 N242
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) K179 T236
Catalytic site (residue number reindexed from 1) K177 T234
Enzyme Commision number 1.1.1.94: glycerol-3-phosphate dehydrogenase [NAD(P)(+)].
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0047952 glycerol-3-phosphate dehydrogenase [NAD(P)+] activity
GO:0051287 NAD binding
GO:0141153 glycerol-3-phosphate dehydrogenase (NADP+) activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006072 glycerol-3-phosphate metabolic process
GO:0006650 glycerophospholipid metabolic process
GO:0008654 phospholipid biosynthetic process
GO:0046167 glycerol-3-phosphate biosynthetic process
GO:0046168 glycerol-3-phosphate catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1z82, PDBe:1z82, PDBj:1z82
PDBsum1z82
PubMed
UniProtA0A0F6AK91|GPDA_THESQ Glycerol-3-phosphate dehydrogenase [NAD(P)+] (Gene Name=gpsA)

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