MolNFT v1 · #187142 · protein

Structure of salc, a gamma-lactam-beta-lactone bicyclase for salinosporamide biosynthesis

7S2X: “Structure of salc, a gamma-lactam-beta-lactone bicyclase for salinosporamide biosynthesis”. X-ray diffraction, 1 ligand (K), 20 pockets (best druggability 0.84). MolNFT v1 #187142 on GenesisL1: 3D structure, binding sites and…

PDB: 7S2X
Type: protein
Length: 2,350 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Salc
UniProt: B0L7F9
Ligands: K
Pockets: 20 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Salc	protein	589	37% helix, 21% strand	B0L7F9
B, C, D	Salc	protein	587	37% helix, 21% strand	B0L7F9

Ligands and binding sites

K · Potassium ion · metal · 4 copies · chains A, B, D, C
EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains D

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	375	0.84	0.93	64	empty
2	336	0.83	0.92	52	empty
3	347	0.78	0.88	53	empty
4	353	0.77	0.88	53	empty
5	334	0.77	0.88	56	empty

Interfaces

6 interfaces between chains.

A–B · 2745 Å² buried · 47 hydrogen bonds · protein-protein
C–D · 2691 Å² buried · 43 hydrogen bonds · protein-protein
B–D · 1099 Å² buried · 8 hydrogen bonds · protein-protein
A–C · 1099 Å² buried · 11 hydrogen bonds · protein-protein
B–C · 299 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

7S2X · Structure of SalC, a gamma-lactam-beta-lactone bicyclase for salinosporamide biosynthesis · 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 B0L7F9
Elsewhere: RCSB PDB 7S2X · PDBe 7S2X · UniProt B0L7F9

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