3TFZ

crystal structure of zhui aromatase/cyclase from streptomcyes sp. r1128

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 59
  • Norm. En. per Res.: -3.7969
• 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	-28.7133	-14.8263	-164.625	-208.1646	55	3	1	6267	0	21	27
A-C	-9.3987	15.7894	-69.4832	-63.0925	60	5	0	3159	5	28	26
A-D	-10.8922	-16.0948	-35.7414	-62.7284	27	1	1	1487	2	9	10
A-E	-38.1328	-82.694	-156.35	-277.1768	89	13	6	7645	7	45	34
A-F	0.0	5.9105	-2.3591	3.5513	15	0	0	268	0	10	13
B-C	-2.5156	-17.4426	-38.4509	-58.4091	28	2	1	1411	2	9	9
B-D	0.0	9.1461	-35.0228	-25.8767	29	0	2	1379	0	12	9
C-D	-15.4208	-16.3157	-156.622	-188.3585	57	8	1	6130	0	22	23
C-E	0.0	1.5723	-6.3232	-4.7508	12	2	0	439	0	10	4
E-F	-31.6535	-22.8241	-169.538	-224.0156	59	10	1	6640	0	24	27

Interface residues

• A-B: ALA100A, ALA95B, ARG102A, ARG102B, ARG72A, ARG72B, ARG73B, ARG94A, ARG94B, ASP99A, ASP99B, GLN104A, GLN104B, GLU101A, GLU5A, GLU5B, GLU92A, GLU92B, HIS3A, HIS3B, HIS6A, HIS6B, LEU105A, LEU105B, LEU107A, LEU107B, LEU147A, LEU147B, LEU151A, LEU151B, LEU98A, LEU98B, PHE96A, PHE96B, THR103A, THR103B, THR108A, THR108B, THR7A, THR7B, THR97A, THR97B, THR9A, THR9B, TRP93B, VAL106A, VAL106B, VAL10A, VAL10B, VAL4A, VAL4B, VAL74A, VAL74B, VAL8A, VAL8B
• A-C: ALA71A, ALA71C, ALA76A, ALA76C, ARG65A, ARG65C, ARG66A, ARG72A, ARG72C, ARG73A, ARG73C, ARG78A, ARG78C, ARG94A, ARG94C, ASP110A, ASP110C, ASP67A, ASP67C, ASP69A, ASP69C, GLN44A, GLN44C, GLN47A, GLN79C, GLU41A, GLU42A, GLU42C, GLU92A, GLU92C, GLY43A, GLY43C, GLY45A, GLY45C, GLY87C, GLY91A, HIS88A, HIS88C, ILE75A, ILE75C, LEU80A, LEU80C, MET1A, MET1C, MET89A, MET89C, PHE96A, PHE96C, SER90A, SER90C, THR108A, THR82C, TRP93A, TRP93C, TYR46A, TYR46C, VAL48A, VAL48C, VAL74A, VAL74C
• A-D: ALA100A, ALA100D, ALA11D, ALA14A, ALA161D, ALA71A, ALA95A, ARG102D, ARG72A, ARG73A, ASP15A, ASP69A, ASP99A, ASP99D, GLN104D, GLU101D, GLY162D, GLY163D, LEU98A, LEU98D, PHE96A, PRO13D, PRO70A, THR97A, THR9D, VAL158D, VAL74A
• A-E: ALA115E, ALA116E, ALA154A, ALA160A, ALA161A, ALA22A, ALA28A, ALA76E, ARG114E, ARG156A, ARG157A, ARG159A, ARG2E, ARG50E, ARG65E, ARG78E, ASP110E, ASP23A, ASP29A, ASP67E, GLN44A, GLN47A, GLN47E, GLN79E, GLU153A, GLU155A, GLU19A, GLU38A, GLU38E, GLU41A, GLU41E, GLU42A, GLU42E, GLU81E, GLU92E, GLY-2E, GLY152A, GLY162A, GLY163A, GLY165A, GLY26A, GLY43A, GLY43E, GLY45A, GLY87E, GLY91E, HIS0E, HIS3E, HIS52E, HIS88E, ILE30A, ILE39A, ILE39E, LEU16A, LEU25A, LEU25E, LEU40A, LEU40E, LEU80E, LYS36E, MET1E, MET89E, PHE111E, PHE31A, PRO70A, SER-1E, SER64E, SER90E, THR113E, THR166A, THR63E, THR82E, TYR27A, TYR46A, TYR46E, TYR77E, VAL112E, VAL158A, VAL164A, VAL167A, VAL20A, VAL24A, VAL24E, VAL37A, VAL37E, VAL48A, VAL48E, VAL49A, VAL49E
• A-F: ALA11F, ALA12F, ARG102F, ARG159F, ARG50A, ASP99F, GLU101F, GLU155F, GLU35A, HIS52A, ILE59A, LEU151F, LYS36A, THR9F, VAL10F
• B-C: ALA100B, ALA100C, ALA11B, ALA14C, ALA71C, ALA95C, ARG102B, ARG72C, ARG73C, ASP15C, ASP69C, ASP99B, GLN104B, GLU101B, GLU101C, GLY162B, GLY163B, LEU98B, LEU98C, PHE96C, PRO13B, PRO70C, THR97B, THR97C, THR9B, VAL158B, VAL164B, VAL74C
• B-D: ALA100B, ALA100D, ALA14B, ALA14D, ALA71B, ALA71D, ARG102B, ARG102D, ARG72B, ARG73B, ARG73D, ASP15B, ASP15D, ASP99B, ASP99D, GLN104B, GLN104D, GLU101B, GLU101D, GLY163D, LEU98B, LEU98D, PHE96B, PHE96D, PRO13B, PRO13D, PRO70D, THR97B, THR97D
• C-D: ALA100C, ALA100D, ALA95C, ALA95D, ARG102C, ARG102D, ARG72C, ARG72D, ARG94C, ARG94D, ASP99C, ASP99D, GLN104C, GLN104D, GLU140C, GLU5C, GLU5D, GLU92C, GLU92D, HIS3C, HIS3D, HIS6C, HIS6D, LEU105C, LEU105D, LEU107C, LEU107D, LEU147C, LEU147D, LEU151C, LEU151D, LEU98C, LEU98D, PHE96C, PHE96D, THR103C, THR103D, THR108C, THR108D, THR7C, THR7D, THR97C, THR97D, THR9C, THR9D, TRP93C, TRP93D, VAL106C, VAL106D, VAL10C, VAL10D, VAL4C, VAL4D, VAL74C, VAL74D, VAL8C, VAL8D
• C-E: ALA116E, ARG2C, ASP110C, ASP118E, ASP119E, GLY117E, GLY120E, HIS0C, HIS3C, LEU121E, MET1C, VAL112C
• E-F: ALA100E, ALA100F, ALA95E, ALA95F, ARG102E, ARG102F, ARG72E, ARG72F, ARG73E, ARG94E, ARG94F, ASP69E, ASP99E, ASP99F, GLN104E, GLN104F, GLU101F, GLU5E, GLU5F, GLU92E, GLU92F, HIS3E, HIS3F, HIS6E, HIS6F, LEU105E, LEU105F, LEU107E, LEU107F, LEU147E, LEU147F, LEU151E, LEU151F, LEU98E, LEU98F, PHE96E, PHE96F, THR103E, THR103F, THR108E, THR108F, THR7E, THR7F, THR97E, THR97F, THR9E, THR9F, TRP93E, TRP93F, VAL106E, VAL106F, VAL10E, VAL10F, VAL4E, VAL4F, VAL74E, VAL74F, VAL8E, VAL8F