Structure of PDB 6vtf Chain C Binding Site BS01

Receptor Information
>6vtf Chain C (length=337) Species: 5762 (Naegleria gruberi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VRKLATIRTAGEITPIAGAEAIECCHVDGWTCVIKKGEFKQGDRGVYFEI
DSFIKEDNDRYPMLSKQVIDYEGQRGTRLRTARLRGQLSQGLFLPMDRFP
ELASNQVGDDVTEILGITKWEPPISTNLSGEILGEFPTFISKTDQERVQN
LIPQIEENKGQKFEVTVKLDGSSMTVYRKDDHIGVCGRNWELRETATNAQ
WHAARRNKMIEGLQFLNRNLALQGEIIGESIQGNLEKLKGQDFYLFDIYD
IDKAQYLTPIERQSLVKQLNDNGFTVKHVPILDDLELNHTAEQILAMADG
PSLNKNVKREGLVFKRLDGKFSFKAISNAYLEKHKDR
Ligand information
Ligand IDPOP
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
CACTVS 3.341O[P]([O-])(=O)O[P](O)([O-])=O
ACDLabs 10.04[O-]P(=O)(O)OP([O-])(=O)O
OpenEye OEToolkits 1.5.0OP(=O)([O-])OP(=O)(O)[O-]
FormulaH2 O7 P2
NamePYROPHOSPHATE 2-
ChEMBL
DrugBank
ZINC
PDB chain6vtf Chain C Residue 400 [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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PDB6vtf Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation.
Resolution2.71 Å
Binding residue
(original residue number in PDB)		R4 K121 R149 R190 K326
Binding residue
(residue number reindexed from 1)		R2 K119 R147 R188 K324
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6vtf, PDBe:6vtf, PDBj:6vtf
PDBsum6vtf
PubMed32315072
UniProtD2W2Z5

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