MolNFT v1 · #103471 · protein

Clya CC6/264 ox (2-303)

4PHO · Hemolysin E, chromosomal: “Clya CC6/264 ox (2-303)”. X-ray diffraction, 10 pockets (best druggability 0.76). MolNFT v1 #103471 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4PHO
Type: protein
Length: 872 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hemolysin E, chromosomal
UniProt: P77335
Pockets: 10 · best druggability 0.76

Structure

x-ray diffraction · 3 distinct chains · 80% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hemolysin E, chromosomal	protein	292	81% helix, 2% strand	P77335
B	Hemolysin E, chromosomal	protein	285	80% helix, 1% strand	P77335
C	Hemolysin E, chromosomal	protein	295	79% helix, 2% strand	P77335

Ligands and binding sites

GOL · Glycerol · additive · 3 copies · chains A, B
PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, 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, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	577	0.76	0.83	57	GOL
2	970	0.73	0.76	91	GOL
3	82	0.72	0.96	16	empty
4	425	0.65	0.79	47	empty
5	427	0.61	0.76	47	empty

Interfaces

3 interfaces between chains.

A–B · 1760 Å² buried · 16 hydrogen bonds · protein-protein
A–C · 1040 Å² buried · 7 hydrogen bonds · protein-protein
B–C · 367 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

4PHO · ClyA CC6/264 ox (2-303) · the same entry in another collection · chain A against A, TM-score 1.00
P77335 · AlphaFold monomer V2.0 prediction for hemolysin E, chromosomal (P77335) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P77335
Elsewhere: RCSB PDB 4PHO · PDBe 4PHO · UniProt P77335

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