Structure of PDB 4h5w Chain A Binding Site BS01
Receptor Information
>4h5w Chain A (length=382) Species:
9606
(Homo sapiens) [
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KGPAVGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDTERLIG
DAAKNQVAMNPTNTVFDAKRLIGRRFDDAVVQSDMKHWPFMVVNDAGRPK
VQVEYKGETKSFYPEEVSSMVLTKMKEIAEAYLGKTVTNAVVTVPAYFND
SQRQATKDAGTIAGLNVLRIINEPTAAAIAYGLDKKVGAERNVLIFDLGG
GTFDVSILTIEDGIFEVKSTAGDTHLGGEDFDNRMVNHFIAEFKRKHKKD
ISENKRAVRRLRTACERAKRTLSSSTQASIEIDSLYEGIDFYTSITRARF
EELNADLFRGTLDPVEKALRDAKLDKSQIHDIVLVGGSTRIPKIQKLLQD
FFNGKELNKSINPDEAVAYGAAVQAAILSGDK
Ligand information
Ligand ID
PO4
InChI
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKey
NBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
Software
SMILES
CACTVS 3.341
[O-][P]([O-])([O-])=O
ACDLabs 10.04
[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0
[O-]P(=O)([O-])[O-]
Formula
O4 P
Name
PHOSPHATE ION
ChEMBL
DrugBank
DB14523
ZINC
PDB chain
4h5w Chain A Residue 402 [
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Receptor-Ligand Complex Structure
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PDB
4h5w
New crystal structures of HSC-70 ATP binding domain confirm the role of individual binding pockets and suggest a new method of inhibition.
Resolution
1.94 Å
Binding residue
(original residue number in PDB)
G12 T13 K71 E175 T204
Binding residue
(residue number reindexed from 1)
G10 T11 K69 E173 T202
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
D10 K71 E175 D199
Catalytic site (residue number reindexed from 1)
D8 K69 E173 D197
Enzyme Commision number
3.6.4.10
: non-chaperonin molecular chaperone ATPase.
Gene Ontology
Molecular Function
GO:0005524
ATP binding
GO:0140662
ATP-dependent protein folding chaperone
View graph for
Molecular Function
External links
PDB
RCSB:4h5w
,
PDBe:4h5w
,
PDBj:4h5w
PDBsum
4h5w
PubMed
25433210
UniProt
P11142
|HSP7C_HUMAN Heat shock cognate 71 kDa protein (Gene Name=HSPA8)
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