Structure of PDB 6n1a Chain A Binding Site BS02
Receptor Information
>6n1a Chain A (length=386) Species:
292800
(Flavonifractor plautii) [
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SALNKAPGYQDFPAYYSDSAHADDQVTHPDVVVLEEPWNGYRYWAVYTPN
VMRISIYENPSIVASSDGVHWVEPEGLSNPIEPQPPSTRYHNCDADMVYN
AEYDAMMAYWNWADDQGGGVGAEVRLRISYDGVHWGVPVTYDEMTRVWSK
PTSDAERQVADGEDDFITAIASPDRYDMLSPTIVYDDFRDVFILWANNTG
DVGYQNGQANFVEMRYSDDGITWGEPVRVNGFLGLDENGQQLAPWHQDVQ
YVPDLKEFVCISQCFAGRNPDGSVLHLTTSKDGVNWEQVGTKPLLSPGPD
GSWDDFQIYRSSFYYEPGSSAGDGTMRVWYSALQKDTNNKMVADSSGNLT
IQAKSEDDRIWRIGYAENSFVEMMRVLLDDPGYTTP
Ligand information
Ligand ID
CA
InChI
InChI=1S/Ca/q+2
InChIKey
BHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
Formula
Ca
Name
CALCIUM ION
ChEMBL
DrugBank
DB14577
ZINC
PDB chain
6n1a Chain A Residue 502 [
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Receptor-Ligand Complex Structure
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PDB
6n1a
An enzymatic pathway in the human gut microbiome that converts A to universal O type blood.
Resolution
1.6 Å
Binding residue
(original residue number in PDB)
D192 D195
Binding residue
(residue number reindexed from 1)
D187 D190
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:6n1a
,
PDBe:6n1a
,
PDBj:6n1a
PDBsum
6n1a
PubMed
31182795
UniProt
G9YSP4
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