3KHP

crystal structure of a possible dehydrogenase from mycobacterium tuberculosis at 2.3a resolution

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 124
  • Norm. En. per Res.: -6.0714
• 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	-6.5306	69.8079	-102.74	-39.4627	59	2	3	4346	1	18	20
A-C	-92.3724	-243.2311	-388.674	-724.2775	127	23	9	15439	25	31	33
B-D	-86.7362	-284.4833	-381.639	-752.8585	124	16	8	15336	24	32	33

Interface residues

• A-B: ALA104A, ALA104B, ALA10A, ALA10B, ARG120A, ARG120B, ARG122A, ARG122B, ARG86A, ASN6A, ASN6B, ASP105B, ASP4A, ASP4B, CYS124A, CYS124B, GLU102A, GLU102B, GLU134A, GLU134B, GLU13A, GLU13B, GLY129A, GLY129B, GLY9A, GLY9B, HIS88A, HIS88B, ILE8A, ILE8B, LEU131A, LEU131B, LEU87A, LYS69A, LYS69B, PRO14A, PRO14B, PRO5A, PRO5B, SER0B, SER130A, SER130B, SER7A, SER7B, SER98A, SER98B, THR101A, THR101B, THR12A, THR12B, VAL100A, VAL100B, VAL103A, VAL103B, VAL11A, VAL11B, VAL132B, VAL70A, VAL70B
• A-C: ALA178A, ALA178C, ALA197A, ALA197C, ALA28A, ALA28C, ALA33A, ALA33C, ALA93A, ALA93C, ARG174A, ARG174C, ARG182A, ARG182C, ARG187A, ARG187C, ARG22A, ARG22C, ASN188A, ASN188C, ASN44A, ASN44C, ASP176A, ASP176C, ASP186A, ASP186C, ASP193A, ASP193C, ASP21A, ASP21C, ASP23A, ASP23C, ASP37A, ASP37C, GLN177A, GLN177C, GLN199A, GLN199C, GLN50A, GLN50C, GLU175A, GLU175C, GLU18A, GLU43A, GLU43C, GLY185A, GLY185C, GLY247C, GLY30A, GLY30C, GLY32A, GLY32C, GLY34A, GLY34C, GLY36A, GLY36C, GLY47A, GLY47C, HIS191A, HIS191C, HIS46A, HIS46C, ILE180A, ILE180C, ILE29A, ILE29C, ILE48A, ILE48C, ILE59A, ILE59C, LEU179A, LEU179C, LEU183A, LEU183C, LEU190A, LEU190C, LEU200A, LEU200C, LEU25A, LEU25C, LEU26A, LEU26C, LEU38A, LEU38C, LYS205A, LYS205C, PHE17C, PHE196A, PHE196C, PHE40A, PHE40C, PRO172C, PRO189A, PRO189C, PRO194A, PRO194C, PRO206A, PRO206C, PRO246A, PRO246C, SER184A, SER184C, SER192A, SER192C, SER45A, SER45C, THR173C, THR20A, THR20C, THR24A, THR24C, THR35A, THR35C, THR41A, THR41C, THR42A, THR42C, TRP195A, TRP195C, TRP19A, TRP19C, TYR181A, TYR181C, TYR27A, TYR27C, TYR56A, TYR56C
• B-D: ALA178B, ALA178D, ALA197B, ALA197D, ALA28B, ALA28D, ALA33B, ALA33D, ARG174B, ARG174D, ARG182B, ARG182D, ARG187B, ARG187D, ARG22B, ARG22D, ASN188B, ASN188D, ASN44B, ASN44D, ASP176B, ASP176D, ASP186B, ASP186D, ASP193B, ASP193D, ASP21B, ASP21D, ASP23B, ASP23D, ASP37B, ASP37D, GLN177B, GLN177D, GLN199B, GLN199D, GLN50B, GLN50D, GLU175B, GLU175D, GLU18B, GLU18D, GLU43B, GLU43D, GLY185B, GLY185D, GLY247D, GLY30B, GLY30D, GLY32B, GLY32D, GLY34B, GLY34D, GLY36B, GLY36D, GLY47B, GLY47D, HIS191B, HIS191D, HIS46B, HIS46D, ILE180B, ILE180D, ILE29B, ILE29D, ILE48B, ILE48D, ILE59B, ILE59D, LEU179B, LEU179D, LEU183B, LEU183D, LEU190B, LEU190D, LEU200B, LEU200D, LEU25B, LEU25D, LEU26B, LEU26D, LEU38B, LEU38D, LYS205B, PHE17D, PHE196B, PHE196D, PHE40B, PHE40D, PRO189B, PRO189D, PRO194B, PRO194D, PRO206B, PRO206D, PRO246B, PRO246D, SER184B, SER184D, SER192B, SER192D, SER45B, SER45D, THR173D, THR20B, THR20D, THR24B, THR24D, THR35B, THR35D, THR41B, THR41D, THR42B, THR42D, TRP195B, TRP195D, TRP19B, TRP19D, TYR181B, TYR181D, TYR27B, TYR27D, TYR56B, TYR56D