MolNFT v1 · #180335 · protein

Crystal structure of thermus thermophilus alkaline phosphatase

7KWD: “Crystal structure of thermus thermophilus alkaline phosphatase”. X-ray diffraction, 2 ligands (ZN, MG), 8 pockets (best druggability 0.63). MolNFT v1 #180335 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7KWD
Type: protein
Length: 946 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alkaline phosphatase
UniProt: Q53W95
Ligands: ZN, MG
Pockets: 8 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Alkaline phosphatase	protein	473	41% helix, 15% strand	Q53W95

Ligands and binding sites

ZN · Zinc ion · metal · 4 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B
TLA · L(+)-tartaric acid · additive · 2 copies · chains A, B

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

Pockets

8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	343	0.63	0.79	36	empty
2	370	0.63	0.78	39	empty
3	144	0.49	0.79	34	empty
4	237	0.46	0.73	37	TLA, ZN
5	222	0.46	0.74	43	TLA

Interfaces

1 interface between chains.

A–B · 3529 Å² buried · 53 hydrogen bonds · protein-protein

Compared structures

7KWD · Crystal structure of Thermus thermophilus alkaline phosphatase · 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 Q53W95
Elsewhere: RCSB PDB 7KWD · PDBe 7KWD · UniProt Q53W95

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