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BioLiP

Structure of PDB 9bow Chain A Binding Site BS01

Receptor Information
>9bow Chain A (length=402) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KRDEALFELIALEEKRQREGLELIASENFVSKQVREAVGSVLTNKYAEGY
PGARYYGGCEVIDRVESLAIERAKALFGAAWANVQPHSGSQANMAVYMAL
MEPGDTLMGMDLAAGGHLTHGSRVNFSGKLYKVVSYGVRPDTELIDLEEV
RRLALEHRPKVIVAGASAYPRFWDFKAFREIADEVGAYLVVDMAHFAGLV
AAGLHPNPLPYAHVVTSTTHKTLRGPRGGLILSNDPELGKRIDKLIFPGI
QGGPLEHVIAGKAVAFFEALQPEFKEYSRLVVENAKRLAEELARRGYRIV
TGGTDNHLFLVDLRPKGLTGKEAEERLDAVGITVNKNAIPFDPKPPRVTS
GIRIGTPAITTRGFTPEEMPLVAELIDRALLEGPSEALREEVRRLALAHP
MP
Ligand information
Ligand IDSER
InChIInChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
InChIKeyMTCFGRXMJLQNBG-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CO)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)O
CACTVS 3.341N[C@@H](CO)C(O)=O
ACDLabs 10.04O=C(O)C(N)CO
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)O
FormulaC3 H7 N O3
NameSERINE
ChEMBLCHEMBL11298
DrugBankDB00133
ZINCZINC000000895034
PDB chain9bow Chain A 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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PDB9bow Universality of critical active site glutamate as an acid-base catalyst in serine hydroxymethyltransferase function.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		S31 H200 X226 R358
Binding residue
(residue number reindexed from 1)		S26 H195 X221 R353
Annotation score5
External links
PDB RCSB:9bow, PDBe:9bow, PDBj:9bow
PDBsum9bow
PubMed39148791
UniProtQ5SI56|GLYA_THET8 Serine hydroxymethyltransferase (Gene Name=glyA)

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