Structure of PDB 4irz Chain A Binding Site BS02

Receptor Information
>4irz Chain A (length=592) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YNVDTESALLYQGPHNTLFGYSVVLHSHGANRWLLVGAPTANWLANASVI
NPGAIYRCRIGKNPGQTCEQLQLGSPNGEPCGKTCLEERDNQWLGVTLSR
QPGENGSIVTCGHRWKNIFYIKNENKLPTGGCYGVPPDLRTELSKRIAPC
YQDYVKKFGENFASCQAGISSFYTKDLIVMGAPGSSYWTGSLFVYNITTN
KYKAFLDKQNQVKFGSYLGYSVGAGHFRSQHTTEVVGGAPQHEQIGKAYI
FSIDEKELNILHEMKGKKLGSYFGASVCAVDLNADGFSDLLVGAPMQSTI
REEGRVFVYINSGSGAVMNAMETNLVGSDKYAARFGESIVNLGDIDNDGF
EDVAIGAPQEDDLQGAIYIYNGRADGISSTFSQRIEGLQISKSLSMFGQS
ISGQIDADNNGYVDVAVGAFRSDSAVLLRTRPVVIVDASLSHPESVNRTK
FDCVENGWPSVCIDLTLCFSYKGKEVPGYIVLFYNMSLDVNRKAESPPRF
YFSSNGTSDVITGSIQVSSREANCRTHQAFMRKDVRDILTPIQIEAAYHL
GPHVISKASTEEFPPLQPILQQKKEKDIMKKTINFARTGGLE
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4irz Chain A Residue 2006 [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]
PDB4irz How natalizumab binds and antagonizes alpha 4 integrins.
Resolution2.84 Å
Binding residue
(original residue number in PDB)		D344 D346 D348 F350 D352
Binding residue
(residue number reindexed from 1)		D344 D346 D348 F350 D352
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0008305 integrin complex

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4irz, PDBe:4irz, PDBj:4irz
PDBsum4irz
PubMed24047894
UniProtG1TY34

[Back to BioLiP]