Structure of PDB 3pyz Chain A Binding Site BS02

Receptor Information
>3pyz Chain A (length=410) Species: 214092 (Yersinia pestis CO92) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTPQATSPLAAWLCYLEHLHSQPIELGLERVKQVAERLDLLKPAPKIFTV
AGTNGKGTTCCTLEAILLAAGLRVGVYSSPHLLRYTERVRIQGQELSEAE
HSHSFAQIEAGRGDISLTYFEFGTLSALQLFKQAKLDVVILEVGLGGRLD
ATNIVDSDVAAITSIALDHTDWLGYDRESIGREKAGVFRGGKPAVVGEPD
MPQSIADVAAELGAQLYRRDVAWKFSQQNGWHWQCGERQLTGLPVPNVPL
ANAATALAVLHYSELPLSDEAIRQGLQAASLPGRFQVVSEQPLLILDVAH
NPHAARYLVNRLAQVIQGKVRAVVGMLSDKDIAGTLACLSERVDEWYCAP
LEGPRGASAGQLAEHLVSARQFSDVETAWRQAMQDADTQDVVIVCGSFHT
VAHVMAALHL
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3pyz Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3pyz Crystal structure of bifunctional folylpolyglutamate synthase/dihydrofolate synthase complexed with AMPpnp and Mn ion from Yersinia pestis c092
Resolution2.1 Å
Binding residue
(original residue number in PDB)		S83 E146
Binding residue
(residue number reindexed from 1)		S79 E142
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.2.12: dihydrofolate synthase.
6.3.2.17: tetrahydrofolate synthase.
Gene Ontology
Molecular Function
GO:0004326 tetrahydrofolylpolyglutamate synthase activity
GO:0005524 ATP binding
GO:0008841 dihydrofolate synthase activity
GO:0016874 ligase activity
GO:0016881 acid-amino acid ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0006761 dihydrofolate biosynthetic process
GO:0009058 biosynthetic process
GO:0009396 folic acid-containing compound biosynthetic process
GO:0046654 tetrahydrofolate biosynthetic process
GO:0046656 folic acid biosynthetic process
GO:0046901 tetrahydrofolylpolyglutamate biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3pyz, PDBe:3pyz, PDBj:3pyz
PDBsum3pyz
PubMed
UniProtQ8D0U0

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