Structure of PDB 5mwk Chain A Binding Site BS05

Receptor Information
>5mwk Chain A (length=1040) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLREQFQNPSDEAKPWTFWYWMFGAVSKEGITADLEAMKRAGLGGTYLMP
IKGIKEGPQYNGKAQQLTPEWWEMVRFSMEEADRLGLKLGMHICDGFALA
GGPWMTPKESMQKIVWSDTIVDGGKIKGLHLPQPEAYEGFYEDISLFALP
VKEEAADVMPAQITCANIATGNHIDIKKTVNMDDAGVIRSSYPCYIQYEY
EQPFTCRNIEIILSGNNYQAHRLKVMASDDGVNYRLVKQLVPARQGWQNT
DENSTHAIPATTARYFRFYWTPEGSEPGSEDMDAAKWKPNLKIKELRLHR
EARLDQWEGKAGLVWRVASSTKKEEIGEQDCYALSQIINLTDPFERTLTA
TLPKGKWKLLRMGHTATGHTNATAGGGKGLECDKFNPKAVRKQFDNWFAQ
AFVKTNPDVARRVLKYMHVDSWQCGSQNWSDTFAAEFRKRRGYDLMPYLP
LLAGIPMESAERSEKILRDVRTTIGELVVDVFYQVLADCAKEYDCQFSAE
CVAPTMVSDGLLHYQKVDLPMGEFWLNSPTHDKPNDMLDAISGAHIYGKN
IIQAEGFTEVRGTWNEHPGILKALLDRNYALGINRLFFHVYVHNPWLDRK
PGMTLDGIGLFFQRDQTWWNKGAKAFCEYITRCQSLLQYGHPVADIAVFT
GEEMPRRSILPERLVPSLPGIFGAERVESERIRLANEGQPLRVRPVGVTH
SANMSDPEKWVNPLRGYAYDSFNKDALLRLAKAENGRMTLPGGASYKVLV
LPLPRPMNPDPAALSPEVKQKINELKEAGILIPSLPYKEDDFSSYGLERD
LIVPENIAWTHRQGEQGDIYFIANQLEETRTFTASMRIDGRKPECWNPVT
GEINADIPYEQKSHRTEITLTLAPNESVFIVYPATGLEATEYTVTFTANG
KTIQRQELFDWSKEEDEQIRYYSGTAVYKTTFRWKSKVKEDQQVYLNLGK
VCDLATVRVNGIDCGTIWTAPYRADITAALKKGVNELEIEVTNTWANALK
GADEGKAPFDGIWTNAKYRRAENTLLPAGLLGPLNFDVAN
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 chain5mwk Chain A Residue 1208 [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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PDB5mwk Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D458 S459 E538 E561 E593
Binding residue
(residue number reindexed from 1)		D420 S421 E500 E523 E555
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links