Structure of PDB 3kq4 Chain F Binding Site BS01

Receptor Information
>3kq4 Chain F (length=457) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CGEILTESTGTIQSPGHPNVYPHGINCTWHILVQPNHLIHLMFETFHLEF
HYNCTNDYLEVYDTDSETSLGRYCGKSIPPSLTSSGNSLMLVFVTDSDLA
YEGFLINYEAISAATACLQDYTDDLGTFTSPNFPNNYPNNWECIYRITVR
TGQLIAVHFTNFSLEEAIGNYYTDFLEIRDGGYEKSPLLGIFYGSNLPPT
IISHSNKLWLKFKSDQIDTRSGFSAYWDGSSTGCGGNLTTSSGTFISPNY
PMPYYHSSECYWWLKSSHGSAFELEFKDFHLEHHPNCTLDYLAVYDGPSS
NSHLLTQLCGDEKPPLIRSSGDSMFIKLRTDEGQQGRGFKAEYRQTCENV
VIVNQTYGILESIGYPNPYSENQHCNWTIRATTGNTVNYTFLAFDLEHHI
NCSTDYLELYDGPRQMGRYCGVDLPPPGSTTSSKLQVLLLTDGVGRREKG
FQMQWFV
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 chain3kq4 Chain F Residue 2014 [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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PDB3kq4 Structural basis for receptor recognition of vitamin-B(12)-intrinsic factor complexes.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		E980 D988 D1027 D1029 L1030
Binding residue
(residue number reindexed from 1)		E49 D57 D96 D98 L99
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3kq4, PDBe:3kq4, PDBj:3kq4
PDBsum3kq4
PubMed20237569
UniProtO60494|CUBN_HUMAN Cubilin (Gene Name=CUBN)

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