1YK3

crystal structure of rv1347c from mycobacterium tuberculosis

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: A-H
  • Int. Res.: 5
  • Norm. En. per Res.: -6.2646
• Hub Node: A(5)

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	-5.2749	-2.9232	-47.5604	-55.7584	45	7	0	2347	1	17	17
A-D	0.0	-1.3368	-104.573	-105.9098	62	7	0	4236	1	28	22
A-E	-26.2803	-61.2014	-125.239	-212.7207	55	10	7	5179	1	26	30
A-F	0.0	0.0	-0.028	-0.028	2	0	0	5	0	3	2
A-H	0.0	-25.2002	-6.1227	-31.3229	5	2	0	154	3	4	3
B-C	0.0	4.5829	-102.176	-97.5931	62	7	0	4279	1	29	22
B-D	0.0	-4.9174	-0.7295	-5.647	14	0	0	149	0	11	6
B-F	-14.1598	-41.7422	-89.0986	-145.0006	51	4	5	4074	0	30	25
B-G	0.0	0.0	-0.0124	-0.0124	3	0	0	8	0	1	1
C-D	-6.4697	-20.5874	-33.1397	-60.1969	29	1	0	1626	2	10	12
C-G	-28.528	-65.209	-112.767	-206.504	54	5	7	4656	0	33	36
D-H	-14.5285	-42.4264	-104.117	-161.0719	50	5	6	4467	1	29	27
E-F	0.0	3.2155	-101.442	-98.2264	62	4	0	4236	0	28	23
E-H	-9.7592	-56.1943	-53.988	-119.9415	42	4	0	2244	3	22	22
F-G	-6.1461	-20.7505	-54.1821	-81.0787	46	1	0	2159	1	12	13
G-H	-9.2966	-40.8155	-40.3465	-90.4585	37	4	0	1884	4	15	18

Interface residues

• A-B: ALA157A, ALA32A, ALA66B, ALA67B, ALA68B, ARG161A, ARG163A, ARG172B, ARG178B, ARG196B, ARG197B, ARG30A, ARG62B, ASN158A, ASN173B, ASN195B, ASN61B, ASP123A, ASP170B, ASP72B, CYS162A, GLN27A, GLU159A, GLU70B, HIS171B, HIS64B, LEU136B, LEU31A, LEU65B, PHE156A, PRO124A, PRO160A, PRO35A, PRO37A, PRO63B, SER154A, SER38A, THR174B, THR207A, TRP110A, TRP69B, TYR125A, TYR71B, VAL155A, VAL36A
• A-D: ALA122D, ALA199D, ALA48A, ALA53A, ARG163D, ARG177D, ARG178D, ARG197D, ARG33A, ARG46A, ARG79A, ASP102A, ASP121D, ASP192D, ASP52A, CYS180D, CYS185D, GLN49A, GLU181D, GLU190D, GLU204D, GLU40A, GLU54A, GLU58A, GLY100A, GLY103A, GLY184D, GLY189D, GLY44A, GLY96A, HIS118D, HIS191D, HIS99A, ILE95A, LEU188D, LEU200D, LEU39A, LEU45A, LEU50A, LEU86A, LEU92A, LYS186D, MET198D, MET55A, PHE187D, PRO41A, PRO42A, SER117D, SER38A, SER97A, THR101A, THR193D, THR51A, TRP182D, TRP59A, TRP98A, TYR119D, TYR120D, TYR201D, TYR43A, VAL36A, VAL47A
• A-E: ALA10A, ALA13A, ALA13E, ALA18A, ALA18E, ALA75E, ALA84A, ALA84E, ARG16A, ARG16E, ARG21A, ARG21E, ARG29A, ARG29E, ARG30A, ARG77A, ARG77E, ASP11A, ASP12A, ASP12E, ASP23A, ASP23E, ASP26A, ASP26E, ASP72E, GLN80A, GLN80E, GLU20A, GLU20E, GLU87A, GLU87E, GLY88A, GLY88E, LEU14A, LEU14E, LEU17A, LEU17E, LEU24A, LEU24E, PHE22A, PHE22E, PRO25A, PRO25E, PRO74E, SER76E, THR89A, THR89E, TRP73A, TRP73E, TRP78E, TYR71E, TYR90A, TYR90E, VAL15A, VAL15E
• A-F: ARG30A, ASP11F
• A-H: ALA10A, ARG30H, ASP11A, ASP12A, ASP26H
• B-C: ALA122C, ALA199C, ALA48B, ALA53B, ARG177C, ARG178C, ARG197C, ARG33B, ARG46B, ARG79B, ASP102B, ASP121C, ASP192C, ASP52B, CYS180C, CYS185C, GLN49B, GLU181C, GLU190C, GLU204C, GLU40B, GLU54B, GLY100B, GLY103B, GLY184C, GLY189C, GLY44B, GLY96B, HIS118C, HIS191C, HIS99B, ILE116C, ILE95B, LEU188C, LEU200C, LEU39B, LEU45B, LEU50B, LEU86B, LEU92B, LYS186C, MET198C, MET55B, PHE187C, PRO41B, PRO42B, SER117C, SER38B, SER97B, THR101B, THR193C, THR194C, THR51B, TRP182C, TRP59B, TRP98B, TYR119C, TYR120C, TYR201C, TYR43B, VAL36B, VAL47B
• B-D: ALA75B, ARG141B, ARG161D, ARG163D, ARG62B, ASP123D, ASP135B, GLN27D, GLU54B, GLU58B, SER137B, THR101B, THR208D, TYR125D
• B-F: ALA10F, ALA13B, ALA13F, ALA18B, ALA84B, ALA84F, ARG16B, ARG16F, ARG21B, ARG21F, ARG29B, ARG29F, ARG77B, ARG77F, ASP11F, ASP12B, ASP12F, ASP23B, ASP23F, ASP26B, GLN80B, GLN80F, GLN9F, GLU20B, GLU20F, GLU87F, GLY88B, GLY88F, HIS118F, HIS81F, LEU115F, LEU14B, LEU14F, LEU17B, LEU17F, LEU24B, LEU24F, PHE22B, PHE22F, PRO25B, PRO74B, PRO74F, SER76B, SER76F, THR89B, TRP73B, TRP73F, TRP78F, TYR90F, VAL15B, VAL15F
• B-G: ARG30G, ASP12B, GLU87B
• C-D: ALA157D, ALA209D, ALA32D, ARG161D, ARG172C, ARG177C, ARG178C, ARG196C, ARG197C, ASN158D, ASN173C, ASN195C, ASP170C, ASP192C, CYS162D, GLU159D, GLU190C, HIS171C, HIS191C, MET198C, PHE156D, PRO160D, PRO35D, SER154D, THR174C, THR193C, TYR125D, VAL155D, VAL36D
• C-G: ALA10G, ALA13C, ALA13G, ALA18C, ALA18G, ALA84C, ALA84G, ARG16C, ARG16G, ARG21C, ARG21G, ARG29C, ARG29G, ARG77C, ARG77G, ASN195C, ASP11C, ASP11G, ASP12C, ASP12G, ASP23C, ASP23G, ASP26C, ASP26G, GLN80C, GLN80G, GLU20C, GLU20G, GLU70C, GLU70G, GLU87C, GLU87G, GLY88C, GLY88G, HIS118G, HIS81G, LEU14C, LEU14G, LEU17C, LEU17G, LEU24C, LEU24G, PHE22C, PHE22G, PRO25C, THR194C, THR89C, THR89G, TRP73C, TRP73G, TYR90C, TYR90G, VAL15C, VAL15G
• D-H: ALA10D, ALA10H, ALA13D, ALA13H, ALA18D, ALA18H, ALA84D, ALA84H, ARG16D, ARG16H, ARG21D, ARG21H, ARG29D, ARG29H, ARG77D, ARG77H, ASP11D, ASP11H, ASP12D, ASP12H, ASP23D, ASP23H, GLN80D, GLN80H, GLU20D, GLU20H, GLU87D, GLY88D, GLY88H, HIS118D, HIS118H, HIS81D, LEU14D, LEU14H, LEU17D, LEU17H, LEU24D, LEU24H, PHE22D, PHE22H, PRO74D, PRO74H, SER76D, SER76H, TRP73D, TRP73H, TRP78D, TYR90D, VAL15D, VAL15H
• E-F: ALA122E, ALA199E, ALA48F, ALA53F, ARG177E, ARG178E, ARG197E, ARG33F, ARG46F, ARG79F, ASP102F, ASP121E, ASP192E, ASP52F, CYS185E, GLN49F, GLN9F, GLU181E, GLU190E, GLU204E, GLU40F, GLU54F, GLY100F, GLY103F, GLY184E, GLY189E, GLY44F, GLY96F, HIS118E, HIS191E, HIS99F, ILE116E, ILE95F, LEU188E, LEU200E, LEU39F, LEU45F, LEU50F, LEU86F, LEU92F, LYS186E, MET198E, MET55F, PHE187E, PRO41F, PRO42F, SER117E, SER38F, SER97F, THR101F, THR193E, THR194E, THR51F, TRP182E, TRP59F, TRP98F, TYR119E, TYR120E, TYR201E, TYR43F, VAL36F, VAL47F
• E-H: ALA122H, ALA175E, ALA66E, ALA67E, ALA68E, ARG161H, ARG163H, ARG164H, ARG172E, ARG197E, ARG30H, ARG62E, ARG77E, ASN173E, ASN195E, ASN61E, ASP121H, ASP123H, ASP126H, ASP170E, ASP192E, ASP26H, ASP72E, CYS162H, GLN27H, GLU159H, GLU204H, GLU70E, HIS171E, HIS64E, LEU136E, LEU65E, MET60E, PRO124H, PRO160H, PRO25H, PRO63E, THR174E, TRP69E, TRP73E, TYR125H, TYR71E
• F-G: ALA157G, ALA175F, ALA209G, ALA210G, ALA32G, ALA66F, ALA67F, ALA68F, ARG161G, ARG163G, ARG172F, ARG178F, ARG196F, ARG62F, ASN158G, ASN173F, ASN195F, ASN61F, ASP123G, ASP170F, ASP72F, CYS162G, GLN27G, GLU159G, GLU181F, GLU70F, HIS64F, LEU136F, LEU31G, LEU65F, MET60F, PHE156G, PRO124G, PRO160G, PRO35G, PRO37G, PRO63F, SER154G, THR174F, THR208G, TRP182F, TRP69F, TYR125G, TYR71F, VAL155G, VAL36G
• G-H: ALA48G, ARG172H, ARG177H, ARG178H, ARG196H, ARG197H, ARG46G, ASN173H, ASN195H, ASP102G, ASP192H, ASP52G, GLN49G, GLU181H, GLU190H, GLY100G, GLY103G, GLY44G, GLY96G, HIS171H, HIS99G, ILE95G, LEU45G, MET55G, PHE187H, PRO41G, PRO42G, SER97G, THR101G, THR174H, THR193H, THR194H, THR51G, TRP59G, TRP98G, VAL36G, VAL47G