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Crystal structure of PHIAB6 tailspike

Analyse Crystal structure of PHIAB6 tailspike in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5JS4
Type: protein
Length: 1,641 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: PHIAB6 tailspike
Pockets: 10 · best druggability 0.90

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	PHIAB6 tailspike	protein	547	6% helix, 49% strand	—

Ligands and binding sites

MLA · Malonic acid · additive · 9 copies · chains A, B, C

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

Pockets

10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1098	0.90	0.92	128	empty
2	246	0.81	0.93	37	empty
3	112	0.78	0.98	28	empty
4	82	0.74	0.97	17	empty
5	51	0.73	0.99	15	empty

Interfaces

3 interfaces between chains.

A–B · 5655 Å² buried · 81 hydrogen bonds · protein-protein
A–C · 5653 Å² buried · 83 hydrogen bonds · protein-protein
B–C · 5649 Å² buried · 82 hydrogen bonds · protein-protein

Compared structures

5JS4 · Crystal structure of phiAB6 tailspike · 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
Elsewhere: RCSB PDB 5JS4 · PDBe 5JS4

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