3AKK

crystal structure of a helicobacter pylori proinflammatory kinase ctka

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 141
  • Norm. En. per Res.: -3.5806
• Hub Node: A(3)

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	-98.1343	-28.1591	-378.566	-504.8594	141	24	4	15809	3	51	45
A-C	-25.0529	21.8632	-102.759	-105.9487	76	9	1	4843	1	56	61
A-D	0.0	2.1728	-59.1733	-57.0005	67	2	1	3269	0	30	25
B-C	-16.0653	5.3938	-69.8404	-80.5119	74	6	1	4027	0	28	23
C-D	-69.9191	-9.9237	-371.881	-451.7238	141	19	4	15412	2	50	39

Interface residues

• A-B: ALA166A, ALA166B, ALA20A, ALA20B, ARG165A, ARG165B, ASN105A, ASN105B, ASN128A, ASN128B, ASN12A, ASN12B, ASN168A, ASN168B, ASN21A, ASN21B, ASN23A, ASN23B, ASN81B, ASP116A, ASP116B, ASP99A, ASP99B, GLN129A, GLN129B, GLN94A, GLN94B, GLU109A, GLU109B, GLU10A, GLU111A, GLU111B, GLU171A, GLU171B, GLU96A, GLU96B, GLY114A, GLY114B, GLY16A, GLY16B, GLY18A, GLY18B, GLY19A, GLY19B, GLY22A, GLY22B, HIS130A, HIS130B, HIS45A, HIS93A, HIS93B, ILE108A, ILE108B, ILE11A, ILE11B, ILE132A, ILE132B, ILE25A, ILE25B, LEU101A, LEU101B, LEU103A, LEU103B, LEU110A, LEU110B, LEU27A, LEU27B, LEU97A, LEU97B, LYS104A, LYS104B, LYS112A, LYS112B, LYS115A, LYS115B, LYS14A, LYS14B, LYS15A, LYS15B, LYS170A, LYS170B, LYS24A, LYS24B, LYS37A, LYS37B, LYS41A, LYS41B, LYS80A, LYS80B, LYS82A, LYS82B, MET107A, MET107B, MET35A, PHE100A, PHE100B, PHE131A, PHE131B, PHE17A, PHE17B, PHE28A, PHE38A, PHE38B, PRO13A, PRO13B, PRO39A, PRO39B, PRO40A, PRO40B, PRO42A, PRO42B, SER102A, SER102B, SER113A, SER113B, SER167A, SER167B, SER169A, SER169B, SER26A, SER26B, SER43A, THR106A, THR106B, THR7B, THR91A, THR91B, THR92B, TYR172A, TYR172B, TYR50A, TYR79A, TYR79B, TYR95A, TYR95B, VAL36A, VAL36B, VAL84A, VAL84B, VAL98A, VAL98B
• A-C: ALA205A, ARG206A, ASN118A, ASN118C, ASN199A, ASN199C, ASN204A, ASN204C, ASN209A, ASN219A, ASN219C, ASP116A, ASP116C, ASP121A, ASP189A, ASP189C, ASP201A, ASP201C, ASP217A, ASP217C, ASP218A, ASP218C, ASP220A, ASP220C, GLN187A, GLN194C, GLU111A, GLU202A, GLU202C, GLU47A, GLY114A, HIS45A, ILE200A, ILE200C, ILE207A, ILE214C, LEU101C, LEU110A, LEU197C, LEU203A, LEU203C, LYS104A, LYS112A, LYS112C, LYS115A, LYS115C, LYS195A, LYS195C, LYS216A, LYS216C, LYS221A, LYS221C, LYS222A, LYS222C, LYS41A, LYS41C, LYS46A, MET48A, PHE210A, PRO42A, PRO42C, SER113A, SER113C, SER198C, SER43A, SER49A, THR117A, THR117C, THR44A, TYR208A, TYR50A, VAL191A, VAL191C, VAL192A, VAL192C, VAL196C
• A-D: ALA205D, ALA20D, ARG206D, ARG289A, ASN120A, ASN204D, ASN209D, ASN219A, ASN219D, ASN21D, ASN224D, ASN233A, ASP121A, ASP155D, ASP201A, ASP201D, ASP218A, ASP220D, ASP227A, ASP227D, GLN187D, GLN212D, GLN231A, GLN231D, GLN296A, GLU109A, GLU111D, GLU202D, GLU292A, GLY19D, GLY22D, HIS157D, HIS297A, ILE200D, ILE207D, ILE214D, ILE291A, LEU110A, LEU293A, LEU295A, LYS112A, LYS115D, LYS195D, LYS216D, LYS221A, LYS221D, LYS222D, LYS235A, LYS281D, PHE154D, PHE210D, PRO211D, PRO40D, PRO42D, SER213D, SER294A, THR117D, THR230A, THR232A, THR288A, TYR124A, TYR208A, TYR208D, TYR226A, TYR226D, VAL285A, VAL285D
• B-C: ALA188B, ALA205B, ALA20B, ALA290C, ARG206B, ARG289C, ASN118C, ASN120C, ASN199B, ASN204B, ASN204C, ASN209B, ASN209C, ASN219B, ASN219C, ASN21B, ASN233C, ASN234C, ASN23B, ASP121C, ASP155B, ASP189B, ASP201B, ASP201C, ASP217C, ASP218C, ASP220B, ASP220C, ASP227C, GLN187B, GLN212B, GLN231C, GLU111C, GLU202B, GLU292C, GLY22B, ILE200B, ILE214B, ILE291C, LEU110C, LEU203B, LEU238C, LEU293C, LYS112B, LYS112C, LYS115B, LYS195B, LYS221B, LYS221C, LYS222B, LYS235C, LYS24B, LYS281C, LYS41B, PHE154B, PHE210B, PHE270B, PHE38B, PRO186B, PRO211B, PRO39B, PRO40B, PRO42B, SER294C, THR230C, THR232C, THR288C, TYR185B, TYR208C, TYR226C, VAL191B, VAL192B, VAL196B, VAL285C
• C-D: ALA166C, ALA166D, ALA20C, ALA20D, ARG165C, ARG165D, ASN105C, ASN105D, ASN128C, ASN128D, ASN12C, ASN12D, ASN168C, ASN168D, ASN21C, ASN21D, ASN23C, ASN23D, ASP116C, ASP116D, ASP99C, ASP99D, GLN129C, GLN129D, GLN94C, GLN94D, GLU109C, GLU109D, GLU10C, GLU10D, GLU111C, GLU111D, GLU133C, GLU171C, GLU171D, GLU96C, GLU96D, GLY114C, GLY114D, GLY16C, GLY16D, GLY18C, GLY18D, GLY19C, GLY19D, GLY22C, GLY22D, HIS130C, HIS130D, HIS93C, HIS93D, ILE108C, ILE108D, ILE11C, ILE11D, ILE132C, ILE132D, ILE25C, ILE25D, LEU101C, LEU101D, LEU103C, LEU103D, LEU110C, LEU110D, LEU27C, LEU27D, LEU33C, LEU97C, LEU97D, LYS104C, LYS104D, LYS112C, LYS112D, LYS115C, LYS115D, LYS14C, LYS14D, LYS15C, LYS15D, LYS170C, LYS170D, LYS24C, LYS24D, LYS37C, LYS37D, LYS41C, LYS41D, LYS80C, LYS80D, LYS82C, LYS82D, MET107C, MET107D, MET35C, MET35D, PHE100C, PHE100D, PHE131C, PHE131D, PHE17C, PHE17D, PHE28C, PHE28D, PHE38C, PHE38D, PRO13C, PRO13D, PRO39C, PRO39D, PRO40C, PRO40D, PRO42C, SER102C, SER102D, SER113C, SER113D, SER167C, SER167D, SER169C, SER169D, SER26C, SER26D, THR106C, THR106D, THR91C, THR91D, THR92C, THR92D, TYR172C, TYR172D, TYR79C, TYR79D, TYR95C, TYR95D, VAL36C, VAL36D, VAL84C, VAL84D, VAL98C, VAL98D