Deposited model

PDB 1NO9|dpdb_a2ql19ul

Deposited model

Design of weakly basic thrombin inhibitors incorporating novel P1 binding functions: molecular and X-ray crystallographic studies.

Program
CNS
Model type
Deposited
Purpose
Reference
Authors
De Simone, G., Menchise, V., Omaggio, S., Pedone, C., Scozzafava, A., Supuran, C.T.
Atoms
2,620
Residues
300
Protein chains
3
Unmodeled fraction
1.96%
Ligands
4ND, NAG

Evaluations

R-work
0.183
R-free
0.204
Clashscore
5.6

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Alpha Thrombin36
  • ConstructLight Chain
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
Alpha Thrombin259
  • ConstructHeavy Chain
Entity 3
MoleculeChainsLengthOrganismUniProtDetails
hirugen11
  • Hirudo medicinalis6421
  • ConstructChain I

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations