3MIA

crystal structure of hiv-1 tat complexed with atp-bound human p-tefb

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 136
  • Norm. En. per Res.: -3.2807
• 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	-36.5334	-44.0469	-236.852	-317.4322	101	10	6	10858	2	32	17
A-C	0.0	-11.0471	-45.8362	-56.8833	24	3	0	1843	1	7	9
B-C	-38.0202	-0.179	-407.975	-446.1742	136	22	1	15563	0	19	18

Interface residues

• A-B: ALA171A, ALA173A, ALA63A, ALA91B, ALA92B, ARG11B, ARG172A, ARG26B, ARG65A, ARG68B, ARG86A, ASN7B, ASN8B, ASP14A, CYS10A, CYS13A, CYS85A, GLN131B, GLN142B, GLN71A, GLN73B, GLN77B, GLN97B, GLU102B, GLU137B, GLU147B, GLU55A, GLU57A, GLU66A, GLU83A, GLU95B, GLU96B, GLU9A, GLY145B, GLY58A, GLY97A, HIS103B, ILE105B, ILE135B, ILE139B, ILE140B, ILE150B, ILE61A, ILE67A, ILE69A, ILE72B, ILE84A, ILE99A, LEU101A, LEU101B, LEU127B, LEU133B, LEU136B, LEU141B, LEU144B, LEU148B, LEU57B, LEU64A, LEU72A, LEU81A, LEU90B, LYS100B, LYS56A, LYS68A, LYS88A, LYS93B, LYS99B, MET52A, MET71B, PHE12A, PHE146B, PHE14B, PHE27B, PHE59A, PHE69B, PHE78B, PHE89B, PRO11A, PRO23B, PRO60A, PRO98B, SER138B, SER74B, SER98A, THR121B, THR143B, THR149B, THR61B, THR62A, THR87A, TRP12B, TYR100A, TYR126B, TYR185A, TYR65B, VAL104B, VAL130B, VAL134B, VAL50A, VAL8A, VAL94B
• A-C: ALA173A, ALA177A, ARG172A, ARG184A, ARG65A, ARG7C, ASN179A, ASN183A, ASP205A, GLN181A, GLU9C, ILE145A, LEU176A, LEU8C, LYS12C, LYS144A, LYS68A, PHE174A, PRO10C, PRO182A, SER175A, SER180A, TRP11C, TYR185A
• B-C: ALA108B, ALA171B, ALA178B, ALA21C, ALA41B, ALA42B, ALA42C, ALA84B, ALA91B, ALA92B, ARG251B, ARG38B, ARG51B, ARG7C, ASN180B, ASN24C, ASN250B, ASN43B, ASN53B, ASN60B, ASN81B, ASP151B, ASP169B, ASP47B, ASP5C, CYS111B, CYS160B, CYS22C, CYS25C, CYS261B, CYS27C, CYS30C, CYS31C, CYS34C, CYS37C, GLN162B, GLN172B, GLN17C, GLN35C, GLN39B, GLN40B, GLN46B, GLN50B, GLN56B, GLN97B, GLU246B, GLU2C, GLU95B, GLU96B, GLU9C, GLY15C, GLY44C, GLY48C, GLY49B, GLY80B, HIS103B, HIS113B, HIS13C, HIS152B, HIS154B, HIS156B, HIS183B, HIS33C, ILE244B, ILE39C, ILE45C, ILE59B, ILE63B, LEU112B, LEU170B, LEU182B, LEU184B, LEU245B, LEU35B, LEU43C, LEU44B, LEU45B, LEU52B, LEU57B, LEU88B, LEU8C, LYS12C, LYS159B, LYS168B, LYS19C, LYS247B, LYS29C, LYS41C, LYS93B, LYS99B, MET177B, MET1C, MET48B, PHE176B, PHE241B, PHE32C, PHE38C, PRO10C, PRO114B, PRO14C, PRO153B, PRO18C, PRO249B, PRO3C, PRO6C, PRO98B, SER16C, SER174B, SER181B, SER36B, SER46C, SER55B, THR110B, THR149B, THR155B, THR161B, THR173B, THR179B, THR20C, THR23C, THR248B, THR40C, THR58B, TRP11C, TRP207B, TYR175B, TYR26C, TYR37B, TYR47C, VAL107B, VAL157B, VAL158B, VAL36C, VAL4C, VAL54B, VAL94B