Structure of PDB 7xzp Chain B Binding Site BS04

Receptor Information
>7xzp Chain B (length=559) Species: 1261 (Peptostreptococcus anaerobius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMEFKTDIEIAQEANPQDIRDIAKKINLSEDDIELYGKYKAKIDYNVLNR
TKSRAGKLILTTAINPTPAGEGKTTTSIGVADALAKLGKNVIAALREPSM
GPVFGIKGGAAGGGYAQVVPMEDINLHFTGDMHAIGAANNLLAAMLDNHV
YQTNSLNINPKRITWRRCVDMNDRQLRNVVDGLGKKVDGVTREDGFDITV
ASEVMAAFCLSNNISELKENLGNIVVAYNYSGKPVTARDLNAHGAMAAIL
KDALKPNLVQTLEGTPAILHGGPFANIAHGCNSIIATKMGMHMADYVVTE
AGFGADLGAEKFLDIKCRKAGIRPDAVIIVATVRALKYNGGVAKDQLNNE
NLEALEKGLPNLLKHIENITQVYKIPAVVAINRFPLDTDAELALVRSKCE
ELGVKVALSEVWANGGEGGIEVANEVLKLIEEGENNFEYCYEEDMTIKEK
LNAIATKIYGADGVNYTKEANKQIAELEELGFGNLPVCVAKTQYSLSDDQ
TKLGRPTGFTIEVRQANISAGAGFVVVMTGEIMKMPGLPKLPAAERIDVD
ENGKISGLF
Ligand information
Ligand IDPRO
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCN1
CACTVS 3.341OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0C1CC(NC1)C(=O)O
ACDLabs 10.04O=C(O)C1NCCC1
FormulaC5 H9 N O2
NamePROLINE
ChEMBLCHEMBL54922
DrugBankDB00172
ZINCZINC000000895360
PDB chain7xzp Chain B Residue 604 [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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PDB7xzp Berberine targets FtfL to suppress intestinal bacteria that promote colorectal carcinogenesis
Resolution2.56 Å
Binding residue
(original residue number in PDB)		E218 R237 H242
Binding residue
(residue number reindexed from 1)		E219 R238 H243
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:7xzp, PDBe:7xzp, PDBj:7xzp
PDBsum7xzp
PubMed38049785
UniProtA0A379CIH2

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