MolNFT v1 · #81606 · protein

Crystal structure of engineered protein, northeast structural genomics consortium target OR120

3UW6 · Alanine racemase: “Crystal structure of engineered protein, northeast structural genomics consortium target OR120”. X-ray diffraction, 12 pockets (best druggability 0.83). MolNFT v1 #81606 on GenesisL1: 3D structure, binding sites…

PDB: 3UW6
Type: protein
Length: 1,113 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alanine racemase
EC: 5.1.1.1
Pockets: 12 · best druggability 0.83

Structure

x-ray diffraction · 3 distinct chains · 30% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Alanine racemase (EC 5.1.1.1)	protein	372	30% helix, 28% strand	—
B	Alanine racemase (EC 5.1.1.1)	protein	371	29% helix, 28% strand	—
C	Alanine racemase (EC 5.1.1.1)	protein	370	30% helix, 29% strand	—

Pockets

12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	684	0.83	0.86	90	empty
2	891	0.82	0.84	114	empty
3	396	0.71	0.83	79	empty
4	243	0.58	0.79	37	empty
5	78	0.58	0.88	20	empty

Interfaces

2 interfaces between chains.

B–C · 3167 Å² buried · 39 hydrogen bonds · protein-protein
A–B · 409 Å² buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 28 modified (engineered).

Compared structures

3UW6 · Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target… · 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 3UW6 · PDBe 3UW6

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