3OGI

crystal structure of the mycobacterium tuberculosis h37rv esxop complex (rv2346c-rv2347c)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 29
  • Norm. En. per Res.: -7.3551
• 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	-36.4181	-46.8956	-187.74	-271.0537	85	7	5	7837	5	17	15
A-C	0.0	1.0703	-7.6084	-6.5381	17	0	4	600	0	6	5
A-D	0.0	-16.9794	-38.4542	-55.4336	30	0	2	1911	0	7	11
B-C	0.0	-15.9302	-38.0597	-53.9899	28	0	1	1890	0	7	11
B-D	-31.5465	-110.6307	-71.1203	-213.2975	29	4	0	2413	7	21	20
C-D	-19.3113	-22.5975	-185.304	-227.2128	88	5	7	7888	3	18	17

Interface residues

• A-B: ALA15A, ALA16B, ALA21A, ALA23B, ALA26A, ALA30A, ALA30B, ALA35B, ALA37A, ALA37B, ALA38A, ALA51B, ALA58B, ALA63B, ALA68A, ARG18A, ARG18B, ARG31B, ARG32B, ARG33A, ARG59A, ARG65B, ARG75B, ASN39B, ASN60A, ASN61B, ASN66B, ASN69B, ASP28B, ASP34A, ASP55B, CYS50A, GLN20A, GLN24B, GLN29A, GLN38B, GLN56A, GLN59B, GLN62A, GLN62B, GLN67A, GLU25A, GLU27A, GLU27B, GLU29B, GLU50B, GLU66A, GLY14A, GLY39A, GLY58A, GLY73B, HIS13A, HIS22B, HIS28A, HIS72B, ILE17A, ILE31A, ILE40B, ILE64A, ILE67B, LEU23A, LEU24A, LEU36A, LEU57A, LEU71B, LEU78B, PHE19B, PHE53A, PHE5B, PHE61A, PHE64B, SER36B, SER53B, THR25B, THR52B, THR56B, TRP34B, TYR65A, VAL21B, VAL26B, VAL32A, VAL35A, VAL63A, VAL68B, VAL74B
• A-C: ALA19A, ALA19C, ALA26A, ALA26C, ALA30A, ALA30C, ARG33A, ARG33C, ASP34A, ASP34C, GLU27A, GLU27C, GLY22C, ILE31A, ILE31C, LEU23A, LEU23C
• A-D: ALA11D, ALA15A, ALA16D, ALA19A, ALA21A, ALA23D, ARG13D, ARG18A, ARG18D, ASP14D, CB8.72671-2.80357, GLN20A, GLN24D, GLU20D, GLU27A, GLU29D, GLY14A, GLY17D, GLY22A, HIS10D, HIS13A, HIS13A5, HIS22D, ILE17A, LEU23A, LEU24A, PHE19D, THR25D, VAL21D, VAL26D
• B-C: ALA11B, ALA15C, ALA16B, ALA19C, ALA21C, ALA23B, ARG13B, ARG18B, ARG18C, ASP14B, GLN20C, GLN24B, GLU20B, GLU27C, GLU29B, GLY14C, GLY17B, GLY22C, HIS10B, HIS13C, HIS22B, ILE17C, LEU23C, LEU24C, PHE19B, THR25B, VAL21B, VAL26B
• B-D: ALA23B, ALA23D, ALA35B, ALA35D, ARG31B, ARG31D, ARG32B, ARG32D, ASP28B, ASP28D, GLN24B, GLN24D, GLU20B, GLU20D, GLU27B, GLU27D, GLU29B, GLU29D, HIS22B, HIS72B, HIS72D, SER36B, SER36D, THR25B, THR25D, VAL21B, VAL21D, VAL26B, VAL26D
• C-D: ALA11D, ALA15C, ALA16D, ALA21C, ALA23D, ALA26C, ALA30C, ALA30D, ALA35D, ALA37C, ALA37D, ALA38C, ALA58D, ALA63D, ARG13D, ARG18C, ARG18D, ARG31D, ARG32D, ARG33C, ARG59C, ARG65D, ARG75D, ASN60C, ASN61D, ASN66D, ASN69D, ASP14D, ASP28D, ASP34C, ASP40C, ASP81D, ASP8D, CYS50C, GLN20C, GLN24D, GLN29C, GLN38D, GLN56C, GLN59D, GLN62C, GLN62D, GLN67C, GLU25C, GLU27C, GLU27D, GLU29D, GLU66C, GLY14C, GLY39C, GLY58C, GLY73D, GLY77D, HIS10D, HIS13C, HIS22D, HIS28C, HIS72D, ILE17C, ILE31C, ILE64C, ILE67D, LEU23C, LEU24C, LEU36C, LEU57C, LEU71D, LEU78D, PHE19D, PHE41C, PHE53C, PHE61C, PHE64D, PRO9D, SER36D, THR25D, THR56D, THR7D, TRP34D, TRP42C, TYR65C, VAL21D, VAL26D, VAL32C, VAL35C, VAL63C, VAL68D, VAL74D