MolNFT v1 · #93921 · protein

Anti-human cytomegalovirus (hcmv) Fab KE5

4HH9 · Fab KE5, light chain: “Anti-human cytomegalovirus (hcmv) Fab KE5”. X-ray diffraction, 7 pockets (best druggability 0.68). MolNFT v1 #93921 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4HH9
Type: protein
Length: 885 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fab KE5, light chain; Fab KE5, heavy chain
Pockets: 7 · best druggability 0.68

Structure

x-ray diffraction · 3 distinct chains · 8% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Fab KE5, light chain	protein	214	6% helix, 50% strand	—
B	Fab KE5, heavy chain	protein	229	8% helix, 49% strand	—
D	Fab KE5, heavy chain	protein	228	10% helix, 50% strand	—

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	726	0.68	0.76	70	empty
2	302	0.56	0.76	40	empty
3	328	0.54	0.74	48	empty
4	52	0.52	0.88	20	empty
5	74	0.39	0.79	18	empty

Interfaces

5 interfaces between chains.

A–B · 2114 Å² buried · 26 hydrogen bonds · protein-protein
C–D · 2035 Å² buried · 20 hydrogen bonds · protein-protein
A–C · 308 Å² buried · 7 hydrogen bonds · protein-protein
A–D · 72 Å² buried · 1 hydrogen bond · protein-protein
B–D · 25 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide (disulfide).

Compared structures

4HH9 · Anti-Human Cytomegalovirus (HCMV) Fab KE5 · 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 4HH9 · PDBe 4HH9

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