Structure of PDB 4ywv Chain A Binding Site BS02

Receptor Information
>4ywv Chain A (length=455) Species: 1010840 (Streptococcus pyogenes MGAS1882) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AYQTIYPYTNEVLHTFDNMTDQGLADVLERAHLLYKKWRKEDHLEERKAQ
LHQVANILRRDRDKYAEIMTKDMGKLFTEAQGEVDLCADIADYYADKADE
FLMSTPLETDSGQAYYLKQSTGVILAVEPWNFPYYQIMRVFAPNFIVGNP
MVLKHASICPRSAQSFEELVLEAGAEAGSITNLFISYDQVSQVIADKRVV
GVCLTGSERGGASIAEEAGKNLKKTTLELGGDDAFIILDDADWDQLEKVL
YFSRLYNAGQVCTSSKRFIVLDKDYDRFKELLTKVFKTAKWGDPMDPETT
LAPLSSAQAKADVLDQIKLALDHGAELVYGGEAIDHPGHFVMPTIIAGLT
KDNPIYYQEIFGPVGEIYKVSSEEEAIEVANDSNYGLGGTIFSSNQEHAK
AVAAKIETGMSFINSGWTSLPELPFGGIKHSGYGRELSELGFTSFVNEHL
IYIPN
Ligand information
Ligand IDSSN
InChIInChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)
InChIKeyUIUJIQZEACWQSV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC(=O)CCC=O
ACDLabs 12.01O=CCCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C=O
FormulaC4 H6 O3
Name4-oxobutanoic acid;
Succinic semialdehyde
ChEMBLCHEMBL1615238
DrugBank
ZINCZINC000001532577
PDB chain4ywv Chain A Residue 502 [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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PDB4ywv Structural insight into the substrate inhibition mechanism of NADP(+)-dependent succinic semialdehyde dehydrogenase from Streptococcus pyogenes.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Y3 K155 S158 Y188
Binding residue
(residue number reindexed from 1)		Y2 K154 S157 Y187
Annotation score5
Binding affinityMOAD: Ki=0.1mM
Enzymatic activity
Catalytic site (original residue number in PDB) N132 K155 E229 C263 E360 E437
Catalytic site (residue number reindexed from 1) N131 K154 E228 C262 E359 E436
Enzyme Commision number 1.2.1.79: succinate-semialdehyde dehydrogenase (NADP(+)).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004030 aldehyde dehydrogenase [NAD(P)+] activity
GO:0004777 succinate-semialdehyde dehydrogenase (NAD+) activity
GO:0016491 oxidoreductase activity
GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
GO:0036243 succinate-semialdehyde dehydrogenase (NADP+) activity

View graph for
Molecular Function
External links
PDB RCSB:4ywv, PDBe:4ywv, PDBj:4ywv
PDBsum4ywv
PubMed25888791
UniProtA0A0J9X1M8

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