Structure of PDB 7xzo Chain B Binding Site BS02

Receptor Information
>7xzo Chain B (length=556) Species: 1261 (Peptostreptococcus anaerobius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FKTDIEIAQEANPQDIRDIAKKINLSEDDIELYGKYKAKIDYNVLNRTKS
RAGKLILTTAINPTPAGEGKTTTSIGVADALAKLGKNVIAALREPSMGPV
FGIKGGAAGGGYAQVVPMEDINLHFTGDMHAIGAANNLLAAMLDNHVYQT
NSLNINPKRITWRRCVDMNDRQLRNVVDGLGKKVDGVTREDGFDITVASE
VMAAFCLSNNISELKENLGNIVVAYNYSGKPVTARDLNAHGAMAAILKDA
LKPNLVQTLEGTPAILHGGPFANIAHGCNSIIATKMGMHMADYVVTEAGF
GADLGAEKFLDIKCRKAGIRPDAVIIVATVRALKYNGGVAKDQLNNENLE
ALEKGLPNLLKHIENITQVYKIPAVVAINRFPLDTDAELALVRSKCEELG
VKVALSEVWANGGEGGIEVANEVLKLIEEGENNFEYCYEEDMTIKEKLNA
IATKIYGADGVNYTKEANKQIAELEELGFGNLPVCVAKTQYSLSDDQTKL
GRPTGFTIEVRQANISAGAGFVVVMTGEIMKMPGLPKLPAAERIDVDENG
KISGLF
Ligand information
Ligand IDBU3
InChIInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
InChIKeyOWBTYPJTUOEWEK-QWWZWVQMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](C)O)O
CACTVS 3.341C[C@@H](O)[C@@H](C)O
ACDLabs 10.04OC(C)C(O)C
OpenEye OEToolkits 1.5.0CC(C(C)O)O
CACTVS 3.341C[CH](O)[CH](C)O
FormulaC4 H10 O2
Name(R,R)-2,3-BUTANEDIOL
ChEMBL
DrugBank
ZINCZINC000000901616
PDB chain7xzo Chain B Residue 603 [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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PDB7xzo Berberine targets FtfL to suppress intestinal bacteria that promote colorectal carcinogenesis
Resolution2.31 Å
Binding residue
(original residue number in PDB)		I374 P375
Binding residue
(residue number reindexed from 1)		I372 P373
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.4.3: formate--tetrahydrofolate ligase.
Gene Ontology
Molecular Function
GO:0004329 formate-tetrahydrofolate ligase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
Biological Process
GO:0006730 one-carbon metabolic process
GO:0035999 tetrahydrofolate interconversion

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:7xzo, PDBe:7xzo, PDBj:7xzo
PDBsum7xzo
PubMed38049785
UniProtA0A379CIH2

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