3B3L

crystal structures of alternatively-spliced isoforms of human ketohexokinase

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 124
  • Norm. En. per Res.: -4.9607
• Hub Node: A(2)

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	-152.0418	-80.35	-382.731	-615.1228	124	25	8	14649	4	50	46
A-D	-9.6889	-49.0429	-55.42	-114.1518	41	2	0	2611	3	29	22
C-D	-59.2163	-73.9176	180.303	47.1691	130	18	6	14448	4	55	44

Interface residues

• A-B: ALA69A, ALA74A, ALA74B, ARG108A, ARG108B, ARG141A, ARG141B, ARG176B, ARG31A, ARG31B, ARG36A, ARG36B, ARG78A, ASN102A, ASN102B, ASN105A, ASN105B, ASN107A, ASN107B, ASN42B, ASP114A, ASP114B, ASP119B, ASP15B, ASP194B, ASP21A, ASP21B, ASP27A, ASP27B, ASP70A, ASP75A, ASP75B, ASP93A, ASP93B, CYS32A, CYS32B, CYS98A, CYS98B, CYS99A, CYS99B, GLN35A, GLN35B, GLN38B, GLU173B, GLU26A, GLU26B, GLU29A, GLU29B, GLY106A, GLY106B, GLY41B, GLY66A, HIS113A, HIS113B, HIS67A, HIS67B, ILE100A, ILE100B, ILE101A, ILE101B, ILE110A, ILE110B, ILE17A, ILE17B, ILE30A, ILE30B, LEU112A, LEU112B, LEU117A, LEU11B, LEU14A, LEU14B, LEU19A, LEU19B, LEU254B, LEU33A, LEU33B, LEU72A, LYS174B, LYS193B, LYS22A, LYS22B, LYS25A, LYS25B, PHE71A, PHE71B, PRO175B, PRO24A, PRO24B, PRO95A, PRO95B, SER104B, SER116A, SER116B, SER18A, SER18B, SER28A, SER28B, SER34A, SER34B, SER96A, SER96B, SER97A, SER97B, THR109A, THR109B, THR115A, THR115B, THR253B, THR94A, THR94B, TRP37A, TRP37B, TYR23A, TYR23B, VAL111A, VAL111B, VAL13B, VAL16A, VAL16B, VAL20A, VAL20B, VAL68A, VAL68B
• A-D: ALA122D, ALA155D, ALA226A, ALA244A, ARG152D, ARG159D, ARG209A, ARG279A, ASP129D, ASP231A, ASP243A, GLN132D, GLN151D, GLN160D, GLN275A, GLU126D, GLU205A, GLU227A, GLU228A, GLU276A, GLY229A, HIS156D, HIS241A, ILE153D, LEU130D, LEU239A, LEU240A, LEU278A, LYS127D, LYS148D, PHE125D, PHE245A, PRO246A, SER203A, SER242A, SER273A, THR123D, THR131D, THR158D, TRP225A, VAL128D
• C-D: ALA69C, ALA69D, ALA74C, ALA74D, ARG108C, ARG108D, ARG141C, ARG141D, ARG176C, ARG31C, ARG31D, ARG36C, ARG36D, ARG77D, ARG78C, ARG78D, ARG79D, ASN102C, ASN102D, ASN105C, ASN105D, ASN107C, ASN107D, ASN142C, ASN42C, ASP114C, ASP114D, ASP119C, ASP15C, ASP194C, ASP27C, ASP27D, ASP70C, ASP70D, ASP75C, ASP75D, ASP93C, ASP93D, CYS32C, CYS32D, CYS98C, CYS98D, CYS99C, CYS99D, GLN35C, GLN35D, GLN38C, GLU173C, GLU26C, GLU26D, GLU29C, GLU29D, GLY106D, GLY140C, GLY41C, GLY66C, GLY66D, HIS113C, HIS113D, HIS67C, HIS67D, ILE100C, ILE100D, ILE101C, ILE101D, ILE110C, ILE110D, ILE17C, ILE17D, ILE30C, ILE30D, LEU112C, LEU112D, LEU11C, LEU14C, LEU14D, LEU179C, LEU19C, LEU19D, LEU254C, LEU33C, LEU33D, LEU72C, LEU72D, LYS174C, LYS22C, LYS22D, LYS25C, LYS25D, PHE71C, PHE71D, PHE76D, PRO175C, PRO24C, PRO24D, PRO95C, PRO95D, SER116C, SER116D, SER18C, SER18D, SER28C, SER28D, SER34C, SER34D, SER96C, SER96D, SER97C, SER97D, THR109C, THR109D, THR115C, THR115D, THR253C, THR94C, THR94D, TRP37C, TRP37D, TYR23C, TYR23D, VAL111C, VAL111D, VAL13C, VAL16C, VAL16D, VAL20C, VAL20D, VAL68C, VAL68D, VAL73D