Structure of PDB 6rte Chain B Binding Site BS01

Receptor Information
>6rte Chain B (length=466) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APGEALYRQHCQACHGAGRLGGSGPTLLPESLSRLKPAQAREVILHGRPA
TQMAGFAGQLDDAAADALVAYLYQAPPREPQWSAEDIRASQVQPHPLATL
PSRPRFEADPLNLFVVVESGDHHVTILDGDRFEPIARFPSRYALHGGPKF
SPDGRLVYFASRDGWVTLYDLYNLKVVAEVRAGLNTRNLAVSDDGRWVLV
GNYLPGNLVLLDARDLSLVQVIPAADAQGQASRVSAVYTAPPRHSFVVAL
KDVHELWELPYANGKPVAPKRLAVADYLDDFSFSPDYRYLLGSSRQARGG
EVIELDSGARVASIPLSGMPHLGSGIYWKRDGRWVFATPNISRGVISVID
LQNWKPLKEIVTDGPGFFMRSHADSPYAWTDTFLGKKHDEILLIDKQTLE
IAHRLRPSPGKVAGHVEFTRDGRYALLSVWDRDGALVVYDAHSLEEVKRL
PMNKPSGKYNVGNKIG
Ligand information
Ligand IDBU3
InChIInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
InChIKeyOWBTYPJTUOEWEK-QWWZWVQMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](C)O)O
CACTVS 3.341C[C@@H](O)[C@@H](C)O
ACDLabs 10.04OC(C)C(O)C
OpenEye OEToolkits 1.5.0CC(C(C)O)O
CACTVS 3.341C[CH](O)[CH](C)O
FormulaC4 H10 O2
Name(R,R)-2,3-BUTANEDIOL
ChEMBL
DrugBank
ZINCZINC000000901616
PDB chain6rte Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6rte Crystal Structure of Dihydro-Heme d1Dehydrogenase NirN from Pseudomonas aeruginosa Reveals Amino Acid Residues Essential for Catalysis.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		W199 D214
Binding residue
(residue number reindexed from 1)		W197 D212
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.-.-
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0006783 heme biosynthetic process
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6rte, PDBe:6rte, PDBj:6rte
PDBsum6rte
PubMed31173777
UniProtQ9I609|NIRN_PSEAE Dihydro-heme d1 dehydrogenase (Gene Name=nirN)

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