MolNFT v1 · #153577 · protein

Sspe crystal structure

6JIV · Sspe protein: “Sspe crystal structure”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #153577 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6JIV
Type: protein
Length: 2,237 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sspe protein
Pockets: 20 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 57% helix, 6% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
D, A, B	Sspe protein	protein	560	56% helix, 6% strand	—
C	Sspe protein	protein	557	57% helix, 6% strand	—

Pockets

20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	923	0.82	0.84	102	empty
2	903	0.81	0.83	89	empty
3	1051	0.81	0.82	127	empty
4	550	0.77	0.84	68	empty
5	469	0.77	0.85	73	empty

Interfaces

6 interfaces between chains.

A–C · 2416 Å² buried · 19 hydrogen bonds · protein-protein
D–B · 2381 Å² buried · 21 hydrogen bonds · protein-protein
B–C · 609 Å² buried · 4 hydrogen bonds · protein-protein
D–A · 576 Å² buried · 3 hydrogen bonds · protein-protein
A–B · 123 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 48 modified (engineered).

Compared structures

6JIV · SspE crystal structure · the same entry in another collection · chain D against D, 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
Elsewhere: RCSB PDB 6JIV · PDBe 6JIV

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