2QQ4

crystal structure of iron-sulfur cluster biosynthesis protein iscu (ttha1736) from thermus thermophilus hb8

• Total interactions analyzed: 45
• Total true interactions: 25
• Strongest Interaction:
  • Chains: E-G
  • Int. Res.: 77
  • Norm. En. per Res.: -2.6264
• Hub Node: A(7)

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-C	-15.3214	4.7807	-84.4319	-94.9726	43	4	0	3733	0	9	10
A-D	-28.9274	0.0	-85.7398	-114.6672	45	5	1	3252	0	1	3
A-F	0.0	0.0	-0.0018	-0.0018	3	0	0	2	0	1	1
A-G	0.0	0.0	-0.0016	-0.0016	2	0	0	1	0	3	3
A-H	-15.5313	12.6652	-176.76	-179.6261	80	22	8	8980	2	18	18
A-I	-10.6826	14.0506	-119.909	-116.541	73	18	5	6313	0	20	14
A-J	0.0	0.0	-0.0272	-0.0272	2	0	0	7	0	2	4
B-C	0.0	0.0	-0.0007	-0.0007	2	0	0	2	0	1	0
B-D	-32.7284	1.0909	-166.596	-198.2335	89	13	6	8145	3	17	17
B-E	-10.0876	5.9707	-118.245	-122.3618	74	5	6	6003	1	17	17
B-F	0.0	2.4816	-37.9287	-35.4471	34	0	1	1770	0	1	5
B-I	0.0	9.2767	-19.0042	-9.7275	34	0	0	1281	0	8	10
C-D	-27.6499	-12.5595	-148.479	-188.6884	79	13	5	7185	1	17	15
C-E	0.0	0.0	-0.0041	-0.0041	2	0	0	2	0	1	1
C-G	-25.1547	-2.6928	-151.105	-178.9525	85	8	6	7762	1	21	17
D-E	0.0	0.0	-0.0024	-0.0024	2	0	0	1	0	2	2
D-G	0.0	0.0	-0.002	-0.002	2	0	0	1	0	2	4
D-H	0.0	-2.2215	-11.7128	-13.9343	23	0	0	841	0	7	4
E-G	-15.5069	-11.2232	-175.504	-202.2342	77	11	6	7245	1	18	15
E-I	-16.7268	0.0	-49.3763	-66.1031	36	4	1	2310	0	2	1
F-I	-34.8557	-23.8889	-103.567	-162.3116	66	10	5	5191	0	19	16
F-J	-13.0699	18.3627	-149.796	-144.5032	71	13	5	6664	0	18	15
H-I	0.0	0.0	-0.0166	-0.0166	2	0	0	5	0	2	3
H-J	-22.3905	-17.9253	-166.391	-206.7068	85	8	7	7905	1	19	17
I-J	0.0	0.0	-0.0006	-0.0006	2	0	0	2	0	2	1

Interface residues

• A-C: ALA136A, ALA28A, ALA32A, ARG138A, ARG20C, ARG58C, ASN21C, ASP14C, ASP56C, GLN17C, GLN27A, GLN27C, GLN31A, GLN60C, GLU134A, GLU135A, GLU44A, GLU50A, GLU76C, GLY23C, GLY33A, GLY51A, HIS15C, ILE57C, LEU137A, LEU25A, LEU25C, LEU48A, LEU49A, LYS30A, LYS79C, MET46A, PHE22C, PHE59C, PRO19C, PRO26A, PRO26C, SER18C, SER72C, THR29A, VAL24C, VAL45A, VAL47A
• A-D: ALA28D, ARG20D, ARG58A, ARG58D, ASN21D, ASP14D, GLN17A, GLN17D, GLN27A, GLN27D, GLN31D, GLN42A, GLN60A, GLN60D, GLN62A, GLN62D, GLU44A, GLY23A, GLY23D, GLY61A, GLY61D, GLY63A, HIS15D, LEU25A, LEU25D, LEU48A, MET46A, MET46D, PHE22A, PHE22D, PHE59A, PHE59D, PRO19A, PRO19D, PRO26A, PRO26D, SER18A, SER18D, THR68A, THR68D, TYR16A, TYR16D, VAL24A, VAL24D, VAL43A
• A-F: ARG9A, GLU6A, LEU13F
• A-G: GLU50A, SER18G
• A-H: ALA112A, ALA112H, ALA117A, ALA121A, ALA126A, ALA65A, ALA69A, ARG122A, ARG20H, ARG9A, ARG9H, ASN36A, ASP104H, ASP109H, ASP14A, ASP14H, ASP41A, ASP5A, ASP5H, CYS125A, CYS39A, CYS64A, GLN114A, GLN114H, GLN17A, GLN62A, GLU10A, GLU10H, GLU6A, GLU6H, GLU76H, GLY108H, GLY115A, GLY40A, GLY63A, HIS15A, HIS15H, ILE11A, ILE11H, ILE66A, LEU107H, LEU110H, LEU111A, LEU111H, LEU113A, LEU119A, LEU12A, LEU12H, LEU13A, LEU13H, LEU4A, LEU4H, LEU73H, LEU7A, LEU7H, LEU89H, LYS118A, LYS124A, LYS81H, LYS92H, MET1A, MET1H, MET96H, PRO102H, PRO103H, PRO105H, PRO120A, PRO37A, SER2A, SER2H, SER38A, SER67A, THR106H, THR68A, TYR16A, TYR8A, TYR8H, VAL116A, VAL123A, VAL3H
• A-I: ALA112A, ALA112I, ALA117I, ALA121I, ALA65I, ALA69I, ALA77A, ARG122I, ARG20A, ARG9A, ARG9I, ASN36I, ASP104A, ASP109A, ASP14A, ASP14I, ASP41I, ASP5A, CYS125I, CYS39I, CYS64I, GLN114A, GLN114I, GLN17I, GLN62I, GLU10A, GLU10I, GLU6A, GLU6I, GLU76A, GLY108A, GLY115I, GLY40I, GLY63I, GLY80A, HIS15A, ILE11A, ILE11I, ILE66I, LEU107A, LEU110A, LEU111A, LEU111I, LEU113I, LEU119I, LEU12A, LEU12I, LEU13A, LEU13I, LEU4A, LEU73A, LEU7A, LEU89A, LYS118I, LYS124I, LYS79A, LYS81A, LYS92A, MET1A, MET35I, PRO103A, PRO105A, PRO37I, SER2A, SER38I, SER67I, THR106A, THR68I, TYR16I, TYR8A, TYR8I, VAL116I, VAL3A
• A-J: ARG9A, GLU10J
• B-C: ARG9B, ARG9C
• B-D: ALA112B, ALA112D, ALA117B, ALA121B, ALA126B, ALA65B, ALA69B, ALA77D, ARG122B, ARG20D, ARG9B, ARG9D, ASN21D, ASN36B, ASP104D, ASP109D, ASP14B, ASP14D, ASP41B, ASP5B, ASP5D, CYS125B, CYS39B, CYS64B, GLN114B, GLN17B, GLN17D, GLN42B, GLN62B, GLU10B, GLU10D, GLU6B, GLU6D, GLU76D, GLU85D, GLY108D, GLY115B, GLY40B, GLY63B, GLY80D, HIS15B, HIS15D, ILE11B, ILE11D, ILE66B, LEU107D, LEU110D, LEU111B, LEU111D, LEU113B, LEU119B, LEU12B, LEU12D, LEU13B, LEU13D, LEU4B, LEU4D, LEU73D, LEU7B, LEU7D, LEU89D, LYS118B, LYS79D, LYS81D, LYS92D, MET35B, PRO103D, PRO105D, PRO120B, PRO19B, PRO37B, SER18B, SER18D, SER2B, SER2D, SER38B, SER67B, SER72D, THR106D, THR68B, THR75D, TYR16B, TYR8B, TYR8D, VAL116B, VAL123B, VAL3D, VAL78D, VAL97B
• B-E: ALA112B, ALA112E, ALA121E, ALA65E, ALA69E, ALA77B, ARG122E, ARG20B, ARG9B, ARG9E, ASN36E, ASP104B, ASP109B, ASP14B, ASP14E, ASP41E, ASP5B, ASP5E, CYS125E, CYS39E, CYS64E, GLN114B, GLN114E, GLN17B, GLN17E, GLN42E, GLN62E, GLU10B, GLU10E, GLU6B, GLU6E, GLU76B, GLU85B, GLY108B, GLY115E, GLY40E, GLY63E, GLY80B, HIS15B, HIS15E, ILE11B, ILE11E, ILE66E, LEU107B, LEU110B, LEU111B, LEU113E, LEU119E, LEU12B, LEU12E, LEU13B, LEU13E, LEU4B, LEU73B, LEU7B, LEU89B, LYS118E, LYS79B, LYS81B, LYS92B, PRO105B, PRO120E, PRO37E, SER2B, SER38E, SER67E, THR106B, THR68E, THR75B, TYR16E, TYR8B, TYR8E, VAL116E, VAL3B
• B-F: ALA28B, ARG138B, ARG20F, ARG58F, GLN17F, GLN27B, GLN27F, GLN42F, GLN60F, GLN62F, GLU44F, GLU50B, GLY23F, GLY51B, GLY61F, HIS15F, LEU137B, LEU25B, LEU25F, LEU48B, LEU49B, LYS30B, PHE22F, PHE59F, PRO19F, PRO26B, PRO26F, SER18F, SER72F, THR29B, THR68F, TYR16F, VAL24F, VAL47B
• B-I: ALA55B, ALA55I, ARG20I, ARG58B, ARG58I, ASN21B, ASN21I, ASP14I, ASP56B, ASP56I, GLN17I, GLN27B, GLU50B, GLU76B, GLU76I, GLY23I, GLY80B, HIS15I, ILE54B, ILE57B, LEU25B, LEU25I, LEU48B, LYS79B, LYS79I, LYS81B, PHE22I, PRO19I, PRO26B, PRO26I, SER18I, SER72I, VAL24B, VAL24I
• C-D: ALA112C, ALA112D, ALA117D, ALA121D, ALA65D, ALA69D, ALA77C, ARG122D, ARG20C, ARG9C, ARG9D, ASN21C, ASN36D, ASP104C, ASP109C, ASP14C, ASP14D, ASP41D, ASP5C, CYS125D, CYS39D, CYS64D, GLN114C, GLN114D, GLN17C, GLN17D, GLN62D, GLU10C, GLU10D, GLU6C, GLU6D, GLU76C, GLY108C, GLY115D, GLY40D, GLY63D, GLY80C, HIS15C, HIS15D, ILE11C, ILE66D, LEU107C, LEU110C, LEU111C, LEU113D, LEU119D, LEU12C, LEU12D, LEU13C, LEU13D, LEU4C, LEU73C, LEU7C, LEU89C, LYS118D, LYS79C, LYS81C, LYS92C, MET1C, PHE22D, PRO105C, PRO120D, PRO19D, PRO37D, SER18C, SER2C, SER38D, SER67D, SER70D, THR106C, THR68D, THR75C, TYR16C, TYR16D, TYR8C, TYR8D, VAL116D, VAL3C, VAL78C
• C-E: ARG9C, GLU6E
• C-G: ALA112C, ALA112G, ALA117C, ALA121C, ALA126C, ALA65C, ALA69C, ALA77G, ARG122C, ARG20G, ARG9C, ARG9G, ASN36C, ASP104G, ASP109G, ASP14C, ASP14G, ASP41C, ASP5C, ASP5G, CYS125C, CYS39C, CYS64C, GLN114C, GLN114G, GLN17C, GLN17G, GLN42C, GLN62C, GLU10C, GLU10G, GLU6C, GLU6G, GLU76G, GLU85G, GLY108G, GLY115C, GLY40C, GLY63C, GLY80G, HIS15C, HIS15G, ILE11C, ILE11G, ILE66C, LEU107G, LEU110G, LEU111C, LEU111G, LEU113C, LEU119C, LEU12C, LEU12G, LEU13C, LEU13G, LEU4C, LEU4G, LEU73G, LEU7C, LEU7G, LEU89G, LYS118C, LYS124C, LYS79G, LYS81G, LYS92G, MET1C, PRO105G, PRO120C, PRO37C, SER18C, SER18G, SER2C, SER2G, SER38C, SER67C, THR106G, THR68C, TYR16C, TYR8C, TYR8G, VAL116C, VAL123C, VAL3G, VAL97C
• D-E: ARG9E, GLU6D
• D-G: GLU10G, LEU13D
• D-H: ALA28D, ARG138D, ARG20H, ARG58H, ASN21H, ASP56H, GLN27D, GLN27H, GLU50D, GLU76H, HIS15H, LEU25H, LEU48D, LEU49D, LYS30D, LYS79H, PHE22H, PRO19H, PRO26D, PRO26H, SER18H, SER72H, THR29D
• E-G: ALA112E, ALA112G, ALA117G, ALA121G, ALA65G, ALA69G, ALA77E, ARG122G, ARG20E, ARG9E, ARG9G, ASN36G, ASP104E, ASP109E, ASP14E, ASP14G, ASP41G, ASP5E, CYS125G, CYS39G, CYS64G, GLN114E, GLN114G, GLN17E, GLN17G, GLN42G, GLN62G, GLU10E, GLU10G, GLU6E, GLU6G, GLU76E, GLU85E, GLY108E, GLY115G, GLY40G, GLY63G, GLY80E, HIS15E, HIS15G, ILE11E, ILE66G, LEU107E, LEU110E, LEU111E, LEU111G, LEU113G, LEU119G, LEU12E, LEU12G, LEU13E, LEU13G, LEU4E, LEU73E, LEU7E, LEU89E, LYS118G, LYS124G, LYS79E, LYS81E, MET35G, PRO105E, PRO19G, PRO37G, SER18E, SER2E, SER38G, SER67G, SER70G, THR106E, THR68G, TYR16G, TYR8E, TYR8G, VAL116G, VAL3E, VAL78E
• E-I: ALA136I, ALA28I, ALA32I, ARG58E, ARG58I, GLN27E, GLN27I, GLN31E, GLN31I, GLN42E, GLN60E, GLN60I, GLN62E, GLU135I, GLU44E, GLU44I, GLY23E, GLY33I, GLY61E, GLY63E, LEU25E, LEU25I, LEU48I, LYS30I, MET46E, MET46I, PHE22E, PHE59E, PRO26E, PRO26I, THR29I, VAL24E, VAL24I, VAL43E, VAL45I, VAL47I
• F-I: ALA112F, ALA112I, ALA121F, ALA65F, ALA69F, ALA77I, ARG122F, ARG20I, ARG9F, ARG9I, ASN21I, ASN36F, ASP104I, ASP109I, ASP14F, ASP14I, ASP41F, ASP5F, ASP5I, CYS125F, CYS39F, CYS64F, GLN17F, GLN17I, GLN42F, GLN62F, GLU10F, GLU10I, GLU6I, GLU76I, GLY108I, GLY115F, GLY40F, GLY63F, GLY80I, HIS15F, HIS15I, ILE11F, ILE11I, ILE66F, LEU107I, LEU110I, LEU111I, LEU113F, LEU119F, LEU12F, LEU12I, LEU13F, LEU13I, LEU73I, LEU7I, LEU89I, LYS79I, LYS81I, PRO105I, PRO120F, PRO37F, SER18I, SER38F, SER67F, THR106I, THR68F, TYR16F, TYR8F, TYR8I, VAL116F
• F-J: ALA112F, ALA112J, ALA121J, ALA65J, ALA69J, ALA77F, ARG122J, ARG20F, ARG9F, ARG9J, ASN36J, ASP104F, ASP109F, ASP14F, ASP14J, ASP41J, ASP5F, CYS125J, CYS39J, CYS64J, GLN114J, GLN17F, GLN17J, GLN42J, GLN62J, GLU10F, GLU10J, GLU6F, GLU6J, GLU76F, GLY108F, GLY115J, GLY40J, GLY63J, GLY80F, HIS15F, HIS15J, ILE11F, ILE66J, LEU107F, LEU110F, LEU111F, LEU113J, LEU119J, LEU12F, LEU12J, LEU13F, LEU13J, LEU4F, LEU73F, LEU7F, LEU89F, LYS118J, LYS79F, LYS81F, LYS92F, PRO103F, PRO105F, PRO19J, PRO37J, SER18F, SER38J, SER67J, SER70J, THR106F, THR68J, TYR16J, TYR8F, TYR8J, VAL116J, VAL3F
• H-I: ARG9I, GLU6H
• H-J: ALA112H, ALA117H, ALA121H, ALA126H, ALA65H, ALA69H, ALA77J, ARG122H, ARG20J, ARG9H, ARG9J, ASN36H, ASP104J, ASP109J, ASP14J, ASP41H, ASP5H, ASP5J, CYS125H, CYS39H, CYS64H, GLN114H, GLN17H, GLN17J, GLN42H, GLN62H, GLU10H, GLU10J, GLU6H, GLU6J, GLU76J, GLU85J, GLY108J, GLY115H, GLY40H, GLY61H, GLY63H, GLY80J, HIS15J, ILE11H, ILE11J, ILE66H, LEU107J, LEU110J, LEU111H, LEU111J, LEU113H, LEU119H, LEU12H, LEU12J, LEU13H, LEU13J, LEU4H, LEU4J, LEU73J, LEU7H, LEU7J, LEU89J, LYS118H, LYS79J, LYS81J, LYS92J, MET1H, MET35H, MET96H, PRO105J, PRO19H, PRO37H, SER18H, SER18J, SER2H, SER2J, SER38H, SER67H, SER72J, THR106J, THR53J, THR68H, TYR16H, TYR8H, TYR8J, VAL116H, VAL3J, VAL78J, VAL97H
• I-J: ARG9J, GLU6I