Structure of PDB 5mqm Chain A Binding Site BS03

Receptor Information
>5mqm 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 IDRPQ
InChIInChI=1S/C6H10N4O3/c1-2-3(11)4(12)5(13)6-7-8-9-10(2)6/h2-5,11-13H,1H3/t2-,3-,4+,5+/m0/s1
InChIKeyRGTARVZVTUMUSY-QMKXCQHVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC1C(C(C(c2n1nnn2)O)O)O
OpenEye OEToolkits 2.0.6C[C@H]1[C@@H]([C@H]([C@H](c2n1nnn2)O)O)O
CACTVS 3.385C[CH]1[CH](O)[CH](O)[CH](O)c2nnnn12
CACTVS 3.385C[C@H]1[C@H](O)[C@@H](O)[C@@H](O)c2nnnn12
FormulaC6 H10 N4 O3
NameD-rhamnopyranose tetrazole
ChEMBL
DrugBank
ZINC
PDB chain5mqm Chain A Residue 1204 [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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PDB5mqm Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Resolution2.11 Å
Binding residue
(original residue number in PDB)		Y49 F126 D458 E461 W563 E593 H627
Binding residue
(residue number reindexed from 1)		Y20 F97 D418 E421 W523 E553 H587
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links