Structure of PDB 5e6s Chain B Binding Site BS02

Receptor Information
>5e6s Chain B (length=455) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QECTKFKVSSCRECIESGPGCTWCQKLNFTGPGDPDSIRCDTRPQLLMRG
CAADDIMDPTSLAETQEDQKQLSPQKVTLYLRPGQAAAFNVTFRRAKGYP
IDLYYLMDLSYSMLDDLRNVKKLGGDLLRALNEITESGRIGFGSFVDKTV
LPFVNTHPDKLRNPCPNKEKECQPPFAFRHVLKLTNNSNQFQTEVGKQLI
SGNLDAPEGGLDAMMQVAACPEEIGWRKVTRLLVFATDDGFHFAGDGKLG
AILTPNDGRCHLEDNLYKRSNEFDYPSVGQLAHKLAENNIQPIFAVTSRM
VKTYEKLTEIIPKSAVGELSEDSSNVVQLIKNAYNKLSSRVFLDHNALPD
TLKVTYDSFCSNGVTHRNQPRGDCDGVQINVPITFQVKVTATECIQEQSF
VIRALGFTDIVTVQVLPQCECRCRDQSRDRSLCHGKGFLECGICRCDTGY
IGKNC
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 chain5e6s Chain B Residue 2003 [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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PDB5e6s Leukocyte integrin alpha L beta 2 headpiece structures: The alpha I domain, the pocket for the internal ligand, and concerted movements of its loops.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		D151 N207 D209 P211 E212
Binding residue
(residue number reindexed from 1)		D147 N203 D205 P207 E208
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5e6s, PDBe:5e6s, PDBj:5e6s
PDBsum5e6s
PubMed26936951
UniProtP05107|ITB2_HUMAN Integrin beta-2 (Gene Name=ITGB2)

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