Structure of PDB 3bp1 Chain A

Receptor sequence

>3bp1A (length=255) Species: 243277 (Vibrio cholerae O1 biovar El Tor str. N16961)

YANQYDPSLLQPVPRSLNRNDLHLSATLPFQGCDIWTLYELSWLNQKGLP
QVAIGEVSIPATSANLIESKSFKLYLNSYNQTRFASWDEVQTRLVHDLSA
CAGETVTVNVKSLNEYTAEPIVTMQGECIDDQDIEIANYEFDDALLQGAA
QGEEVSEVLHSHLLKSNPDWGSVEIAYHGAKMNREALLRYLVSFREHNEF
HEQCVERIFTDIMRYCQPQSLTVYARYTRRGGLDINPFRSSHQSAPNHNQ
RMARQ

3D structure

• PDB: 3bp1 High-resolution structure of the nitrile reductase QueF combined with molecular simulations provide insight into enzyme mechanism.
• Chain: A
• Resolution: 1.53 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D201 H233 E234
• Catalytic site (residue number reindexed from 1): D169 H201 E202
• Enzyme Commision number: 1.7.1.13: preQ1 synthase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	MG	A	Y65 D266 R283 Q287	Y39 D234 R251 Q255
BS02	GUN	A	W62 E94 S95 F232 H233 E234	W36 E68 S69 F200 H201 E202
BS03	POP	A	R262 G263	R230 G231

Gene Ontology

Molecular Function

• GO:0003674 molecular_function
• GO:0016491 oxidoreductase activity
• GO:0033739 preQ1 synthase activity
• GO:0046857 oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor

Biological Process

• GO:0006400 tRNA modification
• GO:0008150 biological_process
• GO:0008616 queuosine biosynthetic process

Cellular Component

• GO:0005575 cellular_component
• GO:0005737 cytoplasm

External links

• PDB: RCSB:3bp1, PDBe:3bp1, PDBj:3bp1
• PDBsum: 3bp1
• PubMed: 20875425
• UniProt: Q9KTK0|QUEF_VIBCH NADPH-dependent 7-cyano-7-deazaguanine reductase (Gene Name=queF)