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Ligand · 0G6

0G6 · D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide

0G6, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide (C21 H34 Cl N6 O3 +1, 454.0 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (10 PDB entries). Every binding site…

Component
0G6
Formula
C21 H34 Cl N6 O3 +1
Class
ligand
Structures
10
PDB entries
10

Binding sites

0G6 in 10 structures; the first of them:

  • 5EW2 · Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT12 · 0G6 H302 · binds CYS42, HIS57, CYS58, TYR60A, TRP60D, ARG97, GLU97A, ASN98 and 17 more
  • 5JBA · Crystal structure of factor IXa variant V16I K98T Y177T I212V in complex with PPACK · 0G6 S302 · binds CYS42, HIS57, CYS58, TYR99, PHE174, ASP189, SER190, CYS191 and 11 more
  • 6EO6 · X-ray structure of the complex between human alpha-thrombin and modified 15-mer DNA… · 0G6 H701 · binds CYS391, HIS406, TYR410, TRP413, GLU457, ASN458, LEU459, ILE542 and 15 more
  • 6EO7 · X-ray structure of the complex between human alpha-thrombin and modified 15-mer DNA… · 0G6 H701 · binds HIS406, TYR410, TRP413, GLU457, ASN458, LEU459, ILE542, ASP562 and 14 more
  • 6EVV · X-ray structure of the complex between human alpha thrombin and NU172, a… · 0G6 H301 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 14 more
  • 6PX5 · CRYSTAL STRUCTURE OF HUMAN MEIZOTHROMBIN DESF1 MUTANT S195A bound with PPACK · 0G6 B801 · binds CYS42, HIS57, CYS58, TYR60A, TRP60D, GLU97A, ASN98, LEU99 and 13 more
  • 6V64 · Crystal structure of human thrombin bound to ppack with tryptophans replaced by… · 0G6 B301 · binds HIS57, TYR60A, FTR60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 13 more
  • 6Z8X · X-ray structure of the complex between human alpha thrombin and a thrombin binding… · 0G6 H301 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 15 more
  • 7NTU · X-ray structure of the complex between human alpha thrombin and two duplex/quadruplex… · 0G6 B301 · binds HIS57, CYS58, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174 and 14 more
  • 7ZKM · X-ray structure of the complex between human alpha thrombin and a pseudo-cyclic thrombin… · 0G6 H301 · binds CYS42, HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174 and 14 more
  • 8BW5 · X-ray structure of the complex between human alpha thrombin and the duplex/quadruplex… · 0G6 H301 · binds CYS42, HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174 and 15 more

Residues it binds most

GLY 12, CYS 12, GLU 12, SER 12, ASP 12, TRP 11, HIS 12, TYR 12, ALA 11, ASN 11 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • K · Potassium ion
  • BMA · beta-D-mannopyranose
  • GAL · beta-D-galactopyranose
  • MAN · alpha-D-mannopyranose
  • SIA · N-acetyl-alpha-neuraminic acid
  • CA · Calcium ion
  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • JKR

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