3MKP

crystal structure of 1k1 mutant of hepatocyte growth factor/scatter factor fragment nk1 in complex with heparin

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 26
  • Norm. En. per Res.: -3.0333
• 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	-33.45	-39.0761	-269.604	-342.1301	119	5	0	10893	3	47	41
B-C	-3.9756	-31.1046	-43.7849	-78.8651	26	2	2	1865	1	17	21
C-D	-41.4757	-38.8902	-222.776	-303.142	107	4	0	9424	3	37	36

Interface residues

• A-B: ARG126A, ARG126B, ARG36A, ARG36A5, ARG36B, ARG76A, ARG76B, ASN102A, ASN102B, ASN121A, ASN121B, ASN127A, ASN127B, ASN37A, ASN37B, ASN77A, ASN77B, ASP123A, ASP123B, ASP202A, ASP202B, CB5.9377930.47664, CYS128A, CYS128B, CYS177A, CYS177B, CYS201A, CYS201B, CYS206A, CYS206B, CYS74A, CYS74B, CYS84A, CYS84B, GLN205A, GLN205B, GLU208A, GLU208B, GLU41A, GLU41B, GLY138A, GLY138B, GLY146A, GLY146B, GLY79A, GLY79B, HIS40A, HIS40B, ILE125A, ILE125B, ILE129A, ILE129B, ILE130A, ILE130B, ILE142A, ILE142B, ILE147A, ILE147B, ILE203A, ILE203B, ILE39A, ILE39B, LEU80A, LEU80B, LYS122A, LYS122B, LYS144A, LYS144B, LYS148A, LYS148B, LYS58A, LYS58B, LYS78A, LYS78B, LYS85A, LYS85B, MET104A, MET104B, PHE101A, PHE101B, PHE42A, PHE42B, PHE82A, PHE82B, PRO100A, PRO100B, PRO204A, PRO204B, PRO81A, PRO81B, SER105A, SER105B, SER106A, SER106B, SER135B, SER141A, SER141B, SER145A, SER145B, SER207A, SER207B, THR139A, THR139B, THR143A, THR143B, THR38A, THR38B, THR75A, THR75B, THR83A, THR83B, TYR124A, TYR124B, TYR136A, TYR136B, VAL140A, VAL140B, VAL200A, VAL200B
• B-C: ALA56C, ALA92B, ARG93B, ARG93C, ASP54C, ASP90B, GLN95B, GLU111C, GLU115B, GLY107C, GLY113B, HIS114B, ILE51C, ILE53C, LYS109C, LYS110C, LYS47B, LYS52C, LYS63B, LYS91B, LYS94B, PHE112B, PHE112C, PHE116B, PRO55C, VAL108C
• C-D: ARG126C, ARG126D, ARG36C, ARG76C, ARG76D, ASN102C, ASN102D, ASN121C, ASN121D, ASN127C, ASN127D, ASN77C, ASN77D, ASP123C, ASP123D, ASP202C, ASP202D, CYS128C, CYS128D, CYS177C, CYS177D, CYS201C, CYS201D, CYS206C, CYS206D, CYS74C, CYS84C, CYS84D, GLN205C, GLN205D, GLU199D, GLU208C, GLU208D, GLU41C, GLU41D, GLY138C, GLY138D, GLY146C, GLY146D, GLY79C, GLY79D, HIS40D, ILE125C, ILE125D, ILE129C, ILE129D, ILE130C, ILE130D, ILE142C, ILE142D, ILE147C, ILE147D, ILE203C, ILE203D, LEU80C, LEU80D, LYS122C, LYS122D, LYS144C, LYS144D, LYS148C, LYS148D, LYS58D, LYS78C, LYS78D, LYS85C, LYS85D, MET104C, MET104D, PHE101C, PHE101D, PHE82C, PHE82D, PRO100C, PRO100D, PRO204C, PRO204D, PRO81C, PRO81D, SER105C, SER105D, SER106C, SER106D, SER135C, SER135D, SER141C, SER141D, SER145C, SER145D, SER207C, SER207D, THR139C, THR139D, THR143C, THR143D, THR38C, THR75C, THR75D, THR83C, THR83D, TYR124C, TYR124D, TYR136C, TYR136D, VAL140C, VAL140D, VAL200D