MolNFT v1 · #152417 · protein

Crystal structure of the hydrolytic antibody Fab 9C10

6IGU · Immunoglobulin 9C10 L chain: “Crystal structure of the hydrolytic antibody Fab 9C10”. X-ray diffraction, 3 pockets (best druggability 0.67). MolNFT v1 #152417 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6IGU
Type: protein
Length: 439 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Immunoglobulin 9C10 L chain; Immunoglobulin 9C10 H chain
Pockets: 3 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 52% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
L	Immunoglobulin 9C10 L chain	protein	219	5% helix, 54% strand	—
H	Immunoglobulin 9C10 H chain	protein	220	8% helix, 50% strand	—

Ligands and binding sites

PGE · Triethylene glycol · additive · 3 copies · chains L, H
BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains L, H

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	738	0.67	0.75	64	BTB
2	188	0.51	0.77	25	PGE
3	173	0.51	0.78	31	empty

Interfaces

1 interface between chains.

L–H · 2046 Å² buried · 23 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

6IGU · Crystal structure of the hydrolytic antibody Fab 9C10 · the same entry in another collection · chain L against L, 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 6IGU · PDBe 6IGU

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