3B4T

crystal structure of mycobacterium tuberculosis rnase ph, the mycobacterium tuberculosis structural genomics consortium target rv1340

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 131
  • Norm. En. per Res.: -5.228
• Hub Node: A(4)

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	-109.4477	-169.0281	-361.836	-640.3118	134	19	7	14399	13	39	32
A-C	-88.0196	-248.6349	-332.175	-668.8295	128	23	4	13342	24	43	40
A-D	0.0	0.0	-3.9099	-3.9099	6	0	0	229	0	2	5
A-F	0.0	0.0	-0.8268	-0.8268	6	0	0	128	0	2	5
B-C	0.0	0.0	-0.834	-0.834	7	0	0	136	0	2	5
B-E	0.0	0.0	-0.4916	-0.4916	6	0	0	99	0	2	5
B-F	-73.8893	-248.7149	-348.192	-670.7961	129	15	3	13681	23	44	40
C-D	-107.6163	-160.1274	-378.497	-646.2406	141	14	7	15015	15	44	33
C-E	0.0	0.0	-0.8983	-0.8983	6	0	0	137	0	2	5
D-E	-99.6491	-248.2848	-336.939	-684.8729	131	16	2	13456	22	42	40
D-F	0.0	0.0	-0.9456	-0.9456	6	0	0	141	0	2	5
E-F	-116.5227	-162.0769	-385.48	-664.0796	136	24	6	14948	12	38	32

Interface residues

• A-B: ALA101A, ALA101B, ALA160B, ALA193A, ALA193B, ALA209A, ALA209B, ALA212A, ALA212B, ALA223A, ALA223B, ARG100A, ARG100B, ARG127A, ARG127B, ARG213A, ARG213B, ARG81B, ARG83A, ARG83B, ARG87A, ARG87B, ARG93A, ARG93B, ARG97A, ARG97B, ASP188A, ASP195B, ASP217A, ASP217B, ASP221A, ASP221B, CYS102A, CYS102B, CYS159A, CYS159B, GLN203A, GLN203B, GLN89A, GLN89B, GLU201A, GLU201B, GLU207A, GLU207B, GLU90A, GLU90B, GLY197A, GLY197B, GLY204A, GLY204B, GLY206A, GLY206B, GLY208A, GLY208B, GLY225A, GLY225B, GLY58B, GLY82A, GLY82B, GLY86A, GLY86B, GLY96A, GLY96B, ILE103A, ILE103B, ILE161A, ILE161B, ILE202A, ILE202B, ILE91A, ILE91B, LEU105A, LEU105B, LEU199A, LEU199B, LEU216A, LEU216B, LEU219A, LEU219B, LEU220A, LEU220B, LEU224A, LEU224B, LEU57B, LEU60A, LEU60B, LEU84A, LEU84B, LEU94A, LEU94B, LEU99A, LEU99B, LYS218A, LYS218B, MET189A, MET189B, MET222A, MET222B, PHE211A, PHE211B, SER158A, SER158B, SER214A, SER214B, SER85A, SER85B, SER92A, SER92B, SER98A, SER98B, THR194A, THR194B, THR196A, THR196B, THR198A, THR198B, THR205A, THR205B, THR210A, THR210B, THR215A, THR215B, THR88A, THR88B, TRP59A, TRP59B, VAL187A, VAL187B, VAL191A, VAL191B, VAL192A, VAL192B, VAL200A, VAL200B
• A-C: ALA114A, ALA114C, ALA122A, ALA122C, ALA26A, ALA26C, ALA42A, ALA42C, ALA62A, ALA62C, ALA65A, ALA65C, ALA70A, ALA70C, ARG74A, ARG74C, ARG77A, ARG77C, ARG81A, ARG81C, ARG83A, ARG83C, ASN24A, ASN24C, ASP116A, ASP116C, ASP118A, ASP118C, ASP123A, ASP123C, ASP76A, ASP76C, CYS117A, CYS117C, CYS40A, CYS40C, GLN121A, GLN121C, GLN89A, GLN89C, GLU23A, GLU23C, GLU32A, GLU32C, GLU63A, GLU63C, GLU78A, GLU78C, GLY124A, GLY20A, GLY20C, GLY27A, GLY27C, GLY34A, GLY34C, GLY82A, GLY82C, HIS35A, HIS35C, HIS72A, HIS72C, ILE113A, ILE113C, ILE115A, ILE115C, ILE95C, LEU120A, LEU120C, LEU30A, LEU30C, LEU39A, LEU39C, LEU67A, LEU67C, LEU84A, LEU84C, LYS37A, LYS37C, MET66A, MET66C, PHE21A, PHE21C, PRO25A, PRO25C, PRO68A, PRO68C, SER28A, SER28C, SER43A, SER43C, SER69A, SER69C, SER73A, SER73C, SER75A, SER75C, SER79A, SER79C, SER85A, SER85C, SER92A, SER92C, THR112A, THR112C, THR22A, THR22C, THR36A, THR36C, THR41A, THR41C, THR45A, THR45C, THR61A, THR61C, THR71A, THR71C, THR88A, THR88C, TYR179A, TYR179C, TYR64A, TYR64C, VAL119A, VAL119C, VAL44A, VAL44C, VAL80A, VAL80C
• A-D: ARG81A, ARG83D, GLY82A, GLY82D, SER79A, VAL80A
• A-F: ARG81F, ARG83A, GLY82A, GLY82F, SER79F, VAL80F
• B-C: ARG81B, ARG81C, ARG83B, GLY82B, GLY82C, SER79C, VAL80C
• B-E: ARG81B, ARG83E, GLY82B, GLY82E, SER79B, VAL80B
• B-F: ALA114B, ALA114F, ALA122B, ALA122F, ALA26B, ALA26F, ALA42B, ALA42F, ALA62B, ALA62F, ALA65B, ALA65F, ALA70B, ALA70F, ARG74B, ARG74F, ARG77B, ARG77F, ARG81B, ARG81F, ARG83B, ARG83F, ASN24B, ASN24F, ASP116B, ASP116F, ASP118B, ASP118F, ASP123B, ASP123F, ASP76B, ASP76F, CYS117B, CYS117F, CYS40B, CYS40F, GLN121B, GLN121F, GLN89B, GLN89F, GLU23B, GLU23F, GLU32B, GLU32F, GLU63B, GLU63F, GLU78B, GLU78F, GLY124B, GLY124F, GLY20B, GLY20F, GLY27B, GLY27F, GLY34B, GLY34F, GLY82B, GLY82F, HIS35B, HIS35F, HIS72B, HIS72F, ILE113B, ILE113F, ILE115B, ILE115F, LEU120B, LEU120F, LEU30B, LEU30F, LEU39B, LEU39F, LEU67B, LEU67F, LEU84B, LEU84F, LYS37B, LYS37F, MET66B, MET66F, PHE21B, PHE21F, PRO25B, PRO25F, PRO68B, PRO68F, SER28B, SER28F, SER43B, SER43F, SER69B, SER69F, SER73B, SER73F, SER75B, SER75F, SER79B, SER79F, SER85B, SER85F, SER92B, SER92F, THR112B, THR112F, THR22B, THR22F, THR36B, THR36F, THR41B, THR41F, THR45B, THR45F, THR61B, THR61F, THR71B, THR71F, THR88B, THR88F, TYR179B, TYR179F, TYR64B, TYR64F, VAL119B, VAL119F, VAL29B, VAL44B, VAL44F, VAL80B, VAL80F
• C-D: ALA101C, ALA101D, ALA160C, ALA193C, ALA193D, ALA209C, ALA209D, ALA212C, ALA212D, ALA223C, ALA223D, ARG100C, ARG100D, ARG127C, ARG127D, ARG213C, ARG213D, ARG50C, ARG81D, ARG83C, ARG83D, ARG87C, ARG87D, ARG93C, ARG93D, ARG97C, ARG97D, ASN190C, ASP188C, ASP188D, ASP195C, ASP217C, ASP217D, ASP221C, ASP221D, ASP76D, CYS102C, CYS102D, CYS159C, CYS159D, GLN203C, GLN203D, GLN89C, GLN89D, GLU201C, GLU201D, GLU207C, GLU207D, GLU63C, GLU78D, GLU90C, GLU90D, GLY197C, GLY197D, GLY204C, GLY204D, GLY206C, GLY206D, GLY208C, GLY208D, GLY225C, GLY225D, GLY58C, GLY82C, GLY82D, GLY86C, GLY86D, GLY96C, GLY96D, ILE103C, ILE103D, ILE161C, ILE161D, ILE202C, ILE202D, ILE91C, ILE91D, LEU105C, LEU105D, LEU199C, LEU199D, LEU216C, LEU216D, LEU219C, LEU219D, LEU220C, LEU220D, LEU224C, LEU224D, LEU57C, LEU60C, LEU60D, LEU84C, LEU84D, LEU94C, LEU94D, LEU99C, LEU99D, LYS218C, LYS218D, MET189C, MET189D, MET222C, MET222D, PHE211C, PHE211D, SER158C, SER158D, SER214C, SER214D, SER85C, SER85D, SER92C, SER92D, SER98C, SER98D, THR194C, THR194D, THR196C, THR196D, THR198C, THR198D, THR205C, THR205D, THR210C, THR210D, THR215C, THR215D, THR88C, THR88D, TRP51C, TRP59C, TRP59D, VAL187C, VAL187D, VAL191C, VAL191D, VAL192C, VAL192D, VAL200C, VAL200D
• C-E: ARG81E, ARG83C, GLY82C, GLY82E, SER79E, VAL80E
• D-E: ALA114D, ALA114E, ALA122D, ALA122E, ALA26D, ALA26E, ALA42D, ALA42E, ALA62D, ALA62E, ALA65D, ALA65E, ALA70D, ALA70E, ARG74D, ARG74E, ARG77D, ARG77E, ARG81D, ARG81E, ARG83D, ARG83E, ASN24D, ASN24E, ASP116D, ASP116E, ASP118D, ASP118E, ASP123D, ASP123E, ASP76D, ASP76E, CYS117D, CYS117E, CYS40D, CYS40E, GLN121D, GLN121E, GLN89D, GLN89E, GLU23D, GLU23E, GLU32D, GLU32E, GLU46E, GLU63D, GLU63E, GLU78D, GLU78E, GLY124D, GLY124E, GLY20D, GLY20E, GLY27D, GLY27E, GLY34D, GLY34E, GLY82D, GLY82E, HIS35D, HIS35E, HIS72D, HIS72E, ILE113D, ILE113E, ILE115D, ILE115E, LEU120D, LEU120E, LEU30D, LEU30E, LEU39D, LEU39E, LEU67D, LEU67E, LEU84D, LEU84E, LYS37D, LYS37E, MET66D, MET66E, PHE21D, PHE21E, PRO25D, PRO25E, PRO68D, PRO68E, SER28D, SER28E, SER43D, SER43E, SER69D, SER69E, SER73D, SER73E, SER75D, SER75E, SER79D, SER79E, SER85D, SER85E, SER92D, SER92E, THR112D, THR112E, THR22D, THR22E, THR36D, THR36E, THR41D, THR41E, THR45D, THR45E, THR61D, THR61E, THR71D, THR71E, THR88D, THR88E, TYR179D, TYR179E, TYR64D, TYR64E, VAL119D, VAL119E, VAL245E, VAL29D, VAL44D, VAL44E, VAL80D, VAL80E
• D-F: ARG81D, ARG83F, GLY82D, GLY82F, SER79D, VAL80D
• E-F: ALA101E, ALA101F, ALA160F, ALA193E, ALA193F, ALA209E, ALA209F, ALA212E, ALA212F, ALA223E, ALA223F, ARG100E, ARG100F, ARG127E, ARG127F, ARG213E, ARG213F, ARG81F, ARG83E, ARG83F, ARG87E, ARG87F, ARG93E, ARG93F, ARG97E, ARG97F, ASN190F, ASP188E, ASP188F, ASP195F, ASP217E, ASP217F, ASP221E, ASP221F, CYS102E, CYS102F, CYS159E, CYS159F, GLN203E, GLN203F, GLN89E, GLN89F, GLU201E, GLU201F, GLU207E, GLU207F, GLU90E, GLU90F, GLY197E, GLY197F, GLY204E, GLY204F, GLY206E, GLY206F, GLY208E, GLY208F, GLY225E, GLY225F, GLY58F, GLY82E, GLY82F, GLY86E, GLY86F, GLY96E, GLY96F, ILE103E, ILE103F, ILE161E, ILE161F, ILE202E, ILE202F, ILE91E, ILE91F, LEU105E, LEU105F, LEU199E, LEU199F, LEU216E, LEU216F, LEU219E, LEU219F, LEU220E, LEU220F, LEU224E, LEU224F, LEU57F, LEU60E, LEU60F, LEU84E, LEU84F, LEU94E, LEU94F, LEU99E, LEU99F, LYS218E, LYS218F, MET189E, MET189F, MET222E, MET222F, PHE211E, PHE211F, SER158E, SER158F, SER214E, SER214F, SER85E, SER85F, SER92E, SER92F, SER98E, SER98F, THR194E, THR194F, THR196E, THR196F, THR198E, THR198F, THR205E, THR205F, THR210E, THR210F, THR215E, THR215F, THR88E, THR88F, TRP59E, TRP59F, VAL187E, VAL187F, VAL191E, VAL191F, VAL192E, VAL192F, VAL200E, VAL200F