3PMH

mechanism of sulfotyrosine-mediated glycoprotein ib interaction with two distinct alpha-thrombin sites

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: B-G
  • Int. Res.: 90
  • Norm. En. per Res.: -4.1231
• Hub Node: A(1)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-100.2835	-51.9165	287.216	135.016	105	41	2	15617	8	46	33
B-G	-63.4983	-130.0555	-177.524	-371.0778	90	31	2	7869	7	45	33

Interface residues

• A-B: ALA132B, ALA1A, ALA22B, ARG137B, ARG14A, ARG206B, ARG4A, ARG50B, ASN159B, ASN204B, ASN205B, ASP116B, ASP14A, ASP1A, ASP21B, ASP243B, ASP49B, CYS122B, CYS1A, GLN131B, GLN209B, GLN239B, GLN244B, GLU13A, GLU14A, GLU1A, GLU23B, GLU247B, GLU8A, GLY133B, GLY136B, GLY14A, GLY1A, GLY246B, GLY25B, GLY2A, HIS119B, ILE118B, ILE14A, ILE162B, ILE242B, ILE24B, ILE47B, ILE79B, LEU123B, LEU129B, LEU12A, LEU130B, LEU14A, LEU160B, LEU3A, LEU46B, LEU6A, LYS107B, LYS10A, LYS135B, LYS14A, LYS186B, LYS202B, LYS235B, LYS240B, LYS9A, MET201B, MET210B, MET26B, PHE114B, PHE199B, PHE1A, PHE204B, PHE245B, PHE7A, PRO111B, PRO120B, PRO161B, PRO204B, PRO28B, PRO5A, SER115B, SER11A, SER129B, SER14A, SER1A, SER203B, SER20B, SER27B, SER48B, THR128B, THR139B, THR14A, THR1A, TRP207B, TRP29B, TRP51B, TYR117B, TYR134B, TYR14A, TYR184B, TYR208B, VAL112B, VAL121B, VAL138B, VAL157B, VAL158B, VAL200B, VAL241B
• B-G: ALA149B, ALA224G, ALA238G, ARG218G, ARG35B, ARG67B, ARG73B, ARG75B, ARG77B, ASN143B, ASN149B, ASN173G, ASN223G, ASN226G, ASN62B, ASN78B, ASP175G, ASP21B, ASP222G, ASP272G, ASP274G, ASP283G, GLN127G, GLN151B, GLN156B, GLN221G, GLN38B, GLU128G, GLU146B, GLU151G, GLU172G, GLU225G, GLU281G, GLU282G, GLU39B, GLU77B, GLU80B, GLY149B, GLY150B, GLY170G, GLY193G, GLY271G, HIS195G, ILE82B, LEU144B, LEU174G, LEU196G, LEU197G, LEU275G, LEU64B, LEU65B, LEU85B, LYS109B, LYS110B, LYS145B, LYS149B, LYS149G, LYS152G, LYS36B, LYS70B, LYS81B, MET239G, MET84B, PHE199G, PHE34B, PRO148G, PRO152B, PRO198G, PRO280G, PRO37B, SER153B, SER194G, SER36B, SER72B, SER83B, THR147B, THR149B, THR176G, THR240G, THR273G, THR284G, THR74B, TRP148B, TRP219G, TYR130G, TYR228G, TYR76B, VAL149B, VAL154B, VAL236G