MolNFT v1 · #168290 · protein

Crystal structure of coiled coil region of human septin 1

6WBE · Septin-1: “Crystal structure of coiled coil region of human septin 1”. X-ray diffraction, 1 ligand (ZN), 1 pocket (best druggability 0.67). MolNFT v1 #168290 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6WBE
Type: protein
Length: 111 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Septin-1
UniProt: Q8WYJ6
Ligands: ZN
Pockets: 1 · best druggability 0.67

Structure

x-ray diffraction · 3 distinct chains · 92% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Septin-1	protein	29	93% helix, 0% strand	Q8WYJ6
B	Septin-1	protein	26	92% helix, 0% strand	Q8WYJ6
C, D	Septin-1	protein	28	89% helix, 0% strand	Q8WYJ6

Ligands and binding sites

ZN · Zinc ion · metal · 7 copies · chains A, C, D, B
ACT · Acetate ion · additive · 5 copies · chains A, D, C, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	448	0.67	0.79	55	ACT, ZN

Interfaces

6 interfaces between chains.

B–D · 626 Å² buried · 7 hydrogen bonds · protein-protein
A–C · 487 Å² buried · 3 hydrogen bonds · protein-protein
B–C · 337 Å² buried · 7 hydrogen bonds · protein-protein
A–D · 168 Å² buried · 5 hydrogen bonds · protein-protein
C–D · 138 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

6WBE · Crystal structure of coiled coil region of human septin 1 · the same entry in another collection · chain A against A, TM-score 1.00
Q8WYJ6 · AlphaFold monomer V2.0 prediction for septin-1 (Q8WYJ6) · a predicted model of the same protein · chain A against A, TM-score 0.95

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 Q8WYJ6
Elsewhere: RCSB PDB 6WBE · PDBe 6WBE · UniProt Q8WYJ6

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