Structure of PDB 5e6s Chain B Binding Site BS01

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 2002 [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)		S116 D119 D120 E325
Binding residue
(residue number reindexed from 1)		S112 D115 D116 E321
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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