Structure of PDB 2w8q Chain A Binding Site BS01

Receptor Information
>2w8q Chain A (length=485) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LAGLSAALLRTDSFVGGRWLPAAATFPVQDPASGAALGMVADCGVREARA
AVRAAYEAFCRWREVSAKERSSLLRKWYNLMIQNKDDLARIITAESGKPL
KEAHGEILYSAFFLEWFSEEARRVYGDIIHTPAKDRRALVLKQPIGVAAV
ITPWNFPSAMITRKVGAALAAGCTVVVKPAEDTPFSALALAELASQAGIP
SGVYNVIPCSRKNAKEVGEAICTDPLVSKISFTGSTTTGKILLHHAANSV
KRVSMELGGLAPFIVFDSANVDQAVAGAMASKFRNTGQTAVCSNQFLVQR
GIHDAFVKAFAEAMKKNLRVGNGFEEGTTQGPLINEKAVEKVEKQVNDAV
SKGATVVTGGKRHQLGKNFFEPTLLCNVTQDMLCTHEETFGPLAPVIKFD
TEEEAIAIANAADVGLAGYFYSQDPAQIWRVAEQLEVGMVGVNEGLISSV
ECPFGGVKQSGLGREGSKYGIDEYLELKYVCYGGL
Ligand information
Ligand IDSIN
InChIInChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKeyKDYFGRWQOYBRFD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC(=O)CCC(O)=O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(=O)O
ACDLabs 12.01O=C(O)CCC(=O)O
FormulaC4 H6 O4
NameSUCCINIC ACID
ChEMBLCHEMBL576
DrugBankDB00139
ZINCZINC000000895030
PDB chain2w8q Chain A Residue 3001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2w8q Redox-Switch Modulation of Human Ssadh by Dynamic Catalytic Loop.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R213 R334 A340 S498
Binding residue
(residue number reindexed from 1)		R163 R284 A290 S448
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) N205 K228 E306 A340 E438 E515
Catalytic site (residue number reindexed from 1) N155 K178 E256 A290 E388 E465
Enzyme Commision number 1.2.1.24: succinate-semialdehyde dehydrogenase (NAD(+)).
Gene Ontology
Molecular Function
GO:0004777 succinate-semialdehyde dehydrogenase (NAD+) activity
GO:0009013 succinate-semialdehyde dehydrogenase [NAD(P)+] activity
GO:0016491 oxidoreductase activity
GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
GO:0042802 identical protein binding
Biological Process
GO:0006105 succinate metabolic process
GO:0006536 glutamate metabolic process
GO:0007417 central nervous system development
GO:0009448 gamma-aminobutyric acid metabolic process
GO:0009450 gamma-aminobutyric acid catabolic process
GO:0009791 post-embryonic development
GO:0051932 synaptic transmission, GABAergic
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0045202 synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2w8q, PDBe:2w8q, PDBj:2w8q
PDBsum2w8q
PubMed19300440
UniProtP51649|SSDH_HUMAN Succinate-semialdehyde dehydrogenase, mitochondrial (Gene Name=ALDH5A1)

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