MolNFT v1 · #105272 · protein

Crystal structure of SP1627, a putative NADH-flavin reductase, from streptococcus pneumoniae TIGR4

4R01: “Crystal structure of SP1627, a putative NADH-flavin reductase, from streptococcus pneumoniae TIGR4”. X-ray diffraction, 2 ligands (CL, SO4), 4 pockets (best druggability 0.80). MolNFT v1 #105272 on GenesisL1: 3D structure, binding…

PDB: 4R01
Type: protein
Length: 420 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative NADH-flavin reductase
UniProt: Q97PI8
Ligands: CL, SO4
Pockets: 4 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Putative NADH-flavin reductase	protein	210	33% helix, 24% strand	Q97PI8

Ligands and binding sites

CL · Chloride ion · ion · 4 copies · chains A, B
SO4 · Sulfate ion · ion · 3 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	902	0.80	0.82	101	SO4
2	89	0.43	0.79	15	empty
3	68	0.28	0.73	14	empty
4	51	0.28	0.75	12	empty

Interfaces

1 interface between chains.

A–B · 790 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

4R01 · Crystal structure of SP1627, a putative NADH-flavin reductase, from Streptococcus… · the same entry in another collection · chain B against B, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q97PI8
Elsewhere: RCSB PDB 4R01 · PDBe 4R01 · UniProt Q97PI8

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