MolNFT v1 · #118782 · protein

Structure of hutd from pseudomonas fluorescens SBW25 (nacl condition)

5FCC: “Structure of hutd from pseudomonas fluorescens SBW25 (nacl condition)”. X-ray diffraction, 2 ligands (NA, CL), 4 pockets (best druggability 0.74). MolNFT v1 #118782 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5FCC
Type: protein
Length: 370 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hutd
UniProt: C3K802
Ligands: NA, CL
Pockets: 4 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 2% helix, 58% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Hutd	protein	185	2% helix, 58% strand	C3K802

Ligands and binding sites

NA · Sodium ion · metal · chains A, B
CL · Chloride ion · ion · 4 copies · chains A, B
EDO · 1,2-ethanediol · additive · 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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	330	0.74	0.85	36	EDO, CL
2	198	0.60	0.82	29	empty
3	102	0.50	0.82	21	EDO, CL
4	104	0.38	0.75	22	empty

Interfaces

1 interface between chains.

A–B · 754 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

5FCC · Structure of HutD from Pseudomonas fluorescens SBW25 (NaCl condition) · the same entry in another collection · chain A against A, 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 C3K802
Elsewhere: RCSB PDB 5FCC · PDBe 5FCC · UniProt C3K802

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