Structure of PDB 4ywu Chain B Binding Site BS01

Receptor Information
>4ywu Chain B (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 chain4ywu Chain B Residue 501 [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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PDB4ywu 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)		Q137 R140 T206 V262 C263 T264
Binding residue
(residue number reindexed from 1)		Q136 R139 T205 V261 C262 T263
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:4ywu, PDBe:4ywu, PDBj:4ywu
PDBsum4ywu
PubMed25888791
UniProtA0A0J9X1M8

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