Structure of PDB 5kis Chain A Binding Site BS01

Receptor Information
>5kis Chain A (length=1446) Species: 935293 (Yersinia entomophaga) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAITTLSLPKGGAINGMGESVGQAGPDGMVTFSIPLPFSAGRGVAPALSL
SYSSGAGNGPFGMGWQCSAMSISRRTQKGVPQYNEDDEFLSPSGEVMAIA
LNDSGFEDVRTANRLQGIPLPFSYKVTRYQPRLIQDFIKIEYWQPVKQTD
GTPFWIIYSPDGQTHILGKNSHSRVANAENPSQIASWLLEETVTPTGEHI
YYQYSGENQVNCTDAEIALHPQDSAQRYLARIDYGNISPQASLFVLDEEL
PNLTQWLFHLVFDYGERDISINKIPTFEGGTTGWLARPDMFSRYDFGIEI
RNRRLCHQVLGFHRLEALNDRDVTDEIPVLVNRLTLDYDLNNSVSTLVAV
RQVAYETDGSPITQPPLEFDYQRFDTGSIPGWQEMPQLEAFNGYQPYQMI
DLYGEGTPGILYQETPGAWWYKSPQRQIGGDSNAVTYGAMKALPKIPRLQ
ATLMDINGDGRLDWVITSAEWTHFTPLNTLPTEYFHPKAQLADLVGAGLS
DLVLIGPKSVRLYANNVSLPVIGIDSRQLVAFADMLGSGQQHLVEITADS
VKCWPNMGHGRFGQPLTLEGFSQPQTSFNPDRVFLADIDGSGTNDIIYAH
SECLEIYLNESGNRFSKPISLLLPDGVNFDNTCQLQAADIQGLGIASLVM
TVPHMSPTHWRCDLALNKPWLLNVMNNNRGAETCLFYRSSAQFWLDEKQL
VEAAGQQPECHLPFPMHLHWRSEIFDEITGNRLTQEQEYAHGSWDGQERE
FRGFGRLIQRDTDGFAQGTVDIPTHPSRTVSWFATGIPEIDTTLSAEFWR
GDDQAFSPFSPRFTRWENDSGSDVAFIPSEHDAFWLNRAMKGQLLRSELY
GDDGTPEAEIPYSVTEMRHQVRALPTTDATVPSAWCSTIETRSYQYQRVA
ADPQCSQQVVIKADRYGSPLLSVAINYPRRKKPEKSPYPDDLPETLFDSS
YDTQQQQLHLTKQQQNYFHLTNDDNWLLGLPKEQRNDGYQYDQERAPANG
FTLETLIASNSLIGSNQPFTYLGQSRVAYQGGVDEQPSLQALVAYGETAI
LDEKTLQAFVGVLDSKTRDELLFSAGYQLAPRLFRVESEPDVWVARQGYS
EFGDYSQFWRPLSQRSTLLTGKTTLKWDKHYCVVIETQDAAQLVTQARYD
YRFLTPYSLTDANDNQHYVVLNPFGEVIASRFWGTEAGKDAGYSTPQAKP
FVVPATIEAALALSPGIPVAHCAIFEPESWMQKLTQHDVSERMADNGTLW
NALLQARFVTEDGYVCALGRRRWMARHGLSVLMLTLLAEIPRTPPHSLTI
TTDRYDSDDQQQLRQRILFSDGFGRLLQSAQRVEAGESWQRSEDSSLVVN
VSGTPALVVTDNRWAVSGRTEYDGKGQGIRVYQPYFLDDWRYLSDDSART
DLFADTHIYDPLGREYQVITAKGYRRERQYTPWFVVNQDENDTAAN
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 chain5kis Chain A Residue 1501 [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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PDB5kis Structure of a new BC complex from Yersinia entomophaga
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D623 D625 S627 T629 D631
Binding residue
(residue number reindexed from 1)		D587 D589 S591 T593 D595
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
Cellular Component
GO:0005576 extracellular region
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:5kis, PDBe:5kis, PDBj:5kis
PDBsum5kis
PubMed
UniProtB6A880|YENB_YERET Toxin subunit YenB (Gene Name=yenB)

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