MolNFT v1 · #141382 · protein

Crystal structure of (S)-allantoin synthase

5Z5M · Predicted protein: “Crystal structure of (S)-allantoin synthase”. X-ray diffraction, 20 pockets (best druggability 0.81). MolNFT v1 #141382 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5Z5M
Type: protein
Length: 1,089 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Predicted protein
UniProt: B7GAW6
Pockets: 20 · best druggability 0.81

Structure

x-ray diffraction · 3 distinct chains · 40% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Predicted protein	protein	273	40% helix, 21% strand	B7GAW6
B	Predicted protein	protein	272	41% helix, 21% strand	B7GAW6
C, D	Predicted protein	protein	272	40% helix, 22% strand	B7GAW6

Pockets

20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	161	0.81	0.97	33	empty
2	1101	0.78	0.80	88	empty
3	1113	0.78	0.79	98	empty
4	106	0.68	0.91	26	empty
5	182	0.62	0.83	33	empty

Interfaces

6 interfaces between chains.

B–D · 2182 Å² buried · 17 hydrogen bonds · protein-protein
A–C · 2159 Å² buried · 19 hydrogen bonds · protein-protein
A–B · 688 Å² buried · 10 hydrogen bonds · protein-protein
C–D · 669 Å² buried · 7 hydrogen bonds · protein-protein
A–D · 362 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

5Z5M · Crystal structure of (S)-allantoin synthase · 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
Every structure of UniProt B7GAW6
Elsewhere: RCSB PDB 5Z5M · PDBe 5Z5M · UniProt B7GAW6

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