MolNFT v1 · #127059 · protein

Structure of PSB29 at 1.55A

5MLF · Protein THF1: “Structure of PSB29 at 1.55A”. X-ray diffraction, 1 ligand (HG), 16 pockets (best druggability 0.82). MolNFT v1 #127059 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5MLF
Type: protein
Length: 1,421 residues
Chains: 7
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein THF1
UniProt: Q8DJT8
Ligands: HG
Pockets: 16 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 67% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, G, F	Protein THF1	protein	203	67% helix, 2% strand	Q8DJT8

Ligands and binding sites

HG · Mercury (II) ion · metal · 7 copies · chains A, B, C, D, E, G, F

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

Pockets

16 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	841	0.82	0.84	91	empty
2	788	0.81	0.84	98	empty
3	735	0.76	0.81	65	empty
4	225	0.70	0.86	40	empty
5	194	0.69	0.87	39	empty

Interfaces

13 interfaces between chains.

A–B · 521 Å² buried · 7 hydrogen bonds · protein-protein
C–F · 520 Å² buried · 6 hydrogen bonds · protein-protein
A–D · 519 Å² buried · 6 hydrogen bonds · protein-protein
C–D · 511 Å² buried · 7 hydrogen bonds · protein-protein
A–E · 506 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

5MLF · Structure of Psb29 at 1.55A · the same entry in another collection · chain F against F, TM-score 1.00
Q8DJT8 · AlphaFold monomer V2.0 prediction for protein THF1 (Q8DJT8) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q8DJT8
Elsewhere: RCSB PDB 5MLF · PDBe 5MLF · UniProt Q8DJT8

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.