Structure of PDB 5vf4 Chain B Binding Site BS01
Receptor Information
>5vf4 Chain B (length=381) Species:
498848
(Thermus aquaticus Y51MC23) [
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MIFSVKDSLRQAVEAASGGLCTVMYTKKGQPVFLRRIPRFNLEDIDPSLG
TGPHPAFVVGGEVKSEIWIGQFPGIVSNGELISVPGVDPANTINFDEALG
YARASGPGFHLMTNAEWAAVALLTWKSRGAGDDPVRGNTQWGRSHEAQWE
AGTRQSGDAPGEDTGAQGRSGRTLTGSGPATWRHDGTPAGIADLVGNVWE
WVAGLRLVGGEIQIIPDNDAAFASTDMSASSPLWKAIRASDGALVSPGTS
GTLKYDINPNKSYSNDNTIQDLGPLTLHTTTQTPPAGWDSNTYQDYASAL
YKDLVVGTGITVPNLLKVLMLAPHTTSITKGRLYARPYGERLPIRGGDWG
NGGVAGLAALYLLNPRGSRRWGVGARPAFVL
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
5vf4 Chain B Residue 401 [
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Receptor-Ligand Complex Structure
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PDB
5vf4
Crystal structure of a Thermus aquaticus diversity-generating retroelement variable protein.
Resolution
2.81 Å
Binding residue
(original residue number in PDB)
D193 L194 G196 V198 E200
Binding residue
(residue number reindexed from 1)
D193 L194 G196 V198 E200
Annotation score
4
External links
PDB
RCSB:5vf4
,
PDBe:5vf4
,
PDBj:5vf4
PDBsum
5vf4
PubMed
30629599
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