Structure of PDB 7odd Chain A Binding Site BS01

Receptor Information
>7odd Chain A (length=539) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPAVGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDTERLIGD
AAKNQVAMNPTNTVFDAKRLIGRRFDDAVVQSDMKHWPFMVVNDAGRPKV
QVEYKGETKSFYPEEVSSMVLTKMKEIAEAYLGKTVTNAVVTVPAYFNDS
QRQATKDAGTIAGLNVLRIINEPTAAAIAYGLDKKVGAERNVLIFDLGGG
TFDVSILTIAAGIFEVKSTAGDTHLGGEDFDNRMVNHFIAEFKRKHKKDI
SENKRAVRRLRTACERAKRTLSSSTQASIEIDSLYEGIDFYTSITRARFE
ELNADLFRGTLDPVEKALRDAKLDKSQIHDIVLVGGSTRIPKIQKLLQDF
FNGKELNKSINPDEAVAYGAAVQAAILSGDDVTPLSLGIETAGGVMTVLI
KRNTTIPTKQTQTFTTYSDNQPGVLIQVYEGERAMTKDNNLLGKFELTGI
PPAPRGVPQIEVTFDIDANGILNVSAVDKSTGKENKITITNDKGRLSKED
IERMVQEAEKYKAEDEKQRDKVSSKNSLESYAFNMKATV
Ligand information
Ligand IDVLS
InChIInChI=1S/C6H13NO5/c8-2-6(3-9,4-10)7-1-5(11)12/h7-10H,1-4H2,(H,11,12)
InChIKeySEQKRHFRPICQDD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(C(=O)O)NC(CO)(CO)CO
ACDLabs 12.01C(CNC(CO)(CO)CO)(O)=O
CACTVS 3.385OCC(CO)(CO)NCC(O)=O
FormulaC6 H13 N O5
NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine
ChEMBL
DrugBank
ZINCZINC000001587260
PDB chain7odd Chain A Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7odd Combined in-solution and crystallographic fragment screening on a two-domain Hsp70 construct
Resolution1.984 Å
Binding residue
(original residue number in PDB)		D10 G12 T13 E175 D199 T204
Binding residue
(residue number reindexed from 1)		D7 G9 T10 E172 D196 T201
Annotation score1
Enzymatic activity
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:7odd, PDBe:7odd, PDBj:7odd
PDBsum7odd
PubMed38317495
UniProtP19120|HSP7C_BOVIN Heat shock cognate 71 kDa protein (Gene Name=HSPA8)

[Back to BioLiP]