MolNFT v1 · #172198 · protein

Crystal structure of thrombin in complex with COMPOUND30

6ZUU: “Crystal structure of thrombin in complex with COMPOUND30”. X-ray diffraction, 2 ligands (QQN, NAG). MolNFT v1 #172198 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6ZUU
Type: protein
Length: 288 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P00734, P28504
Ligands: QQN, NAG

Structure

x-ray diffraction · 3 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
L	—	protein	27	—	P00734
H	—	protein	250	—	P00734
I	—	protein	11	—	P28504

Ligands and binding sites

QQN · [2-[(3-chlorophenyl)methylamino]-4-methoxy-1,3-benzoxazol-6-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone · ligand · chains H
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains H

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

Compared structures

6ZUU · Crystal structure of Thrombin in complex with compound30 · the same entry in another collection · chain L against L, TM-score 1.00
P28504 · AlphaFold monomer V2.0 prediction for hirudin-2 (P28504) · a predicted model of the same protein · chain I against A, TM-score 0.54

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 P00734
Every structure of UniProt P28504
Elsewhere: RCSB PDB 6ZUU · PDBe 6ZUU · UniProt P00734 · UniProt P28504

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