Structure of PDB 5mqn Chain A Binding Site BS01

Receptor Information
>5mqn Chain A (length=1038) 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
EARLDQWEGKAGLVWRVASSTKKEEIGEQDCYALSQIINLTDPFTLTATL
PKGKWKLLRMGHTATGHTNATAGGGKGLECDKFNPKAVRKQFDNWFAQAF
VKTNPDVARRVLKYMHVDSWECGSQNWSDTFAAEFRKRRGYDLMPYLPLL
AGIPMESAERSEKILRDVRTTIGELVVDVFYQVLADCAKEYDCQFSAECV
APTMVSDGLLHYQKVDLPMGEFWLNSPTHDKPNDMLDAISGAHIYGKNII
QAEGFTEVRGTWNEHPGILKALLDRNYALGINRLFFHVYVHNPWLDRKPG
MTLDGIGLFFQRDQTWWNKGAKAFCEYITRCQSLLQYGHPVADIAVFTGE
EMPRRSILPERLVPSLPGIFGAERVESERIRLANEGQPLRVRPVGVTHSA
NMSDPEKWVNPLRGYAYDSFNKDALLRLAKAENGRMTLPGGASYKVLVLP
LPRPMNPDPAALSPEVKQKINELKEAGILIPSLPYKEDDFSSYGLERDLI
VPENIAWTHRQGEQGDIYFIANQLEETRTFTASMRIDGRKPECWNPVTGE
INADIPYEQKSHRTEITLTLAPNESVFIVYPATGLEATEYTVTFTANGKT
IQRQELFDWSKEEDEQIRYYSGTAVYKTTFRWKSKVKEDQQVYLNLGKVC
DLATVRVNGIDCGTIWTAPYRADITAALKKGVNELEIEVTNTWANALKGA
DEGKAPFDGIWTNAKYRRAENTLLPAGLLGPLNFDVAN
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 chain5mqn Chain A Residue 1201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5mqn Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D458 E538 E593
Binding residue
(residue number reindexed from 1)		D418 E498 E553
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links