3P1M

crystal structure of human ferredoxin-1 (fdx1) in complex with iron- sulfur cluster

• Total interactions analyzed: 28
• Total true interactions: 18
• Strongest Interaction:
  • Chains: C-G
  • Int. Res.: 18
  • Norm. En. per Res.: -4.4196
• 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-C	-6.8245	3.0965	-97.6594	-101.3874	37	0	1	3791	1	11	10
A-D	-25.696	0.0	-61.6724	-87.3684	22	4	3	2299	0	0	0
A-E	-25.0609	2.472	-61.2763	-83.8652	26	3	1	2410	0	7	5
A-F	0.0	0.0	-5.6364	-5.6364	10	0	0	333	0	0	2
A-G	-85.4515	0.7771	-316.941	-401.6154	128	9	12	13196	0	27	48
B-D	-16.5639	-32.4494	-30.2343	-79.2475	20	2	0	909	8	20	18
B-E	-18.7137	-7.2135	-113.912	-139.8392	38	7	1	3978	2	10	10
B-H	-94.0385	0.3411	-343.575	-437.2724	139	11	12	14571	0	28	46
C-D	-22.4964	-4.4443	-85.0546	-111.9954	27	4	0	2961	0	6	6
C-F	-84.3644	0.621	-315.709	-399.4523	126	8	12	13105	0	27	48
C-G	-14.3025	-36.9109	-28.339	-79.5524	18	1	0	791	8	17	18
D-E	-96.7936	-1.2315	-336.791	-434.8161	139	17	12	14531	0	28	47
D-G	0.0	0.0	-14.3861	-14.3861	13	0	0	412	0	0	0
D-H	-11.2825	-16.61	-57.9992	-85.8917	25	3	1	2384	2	11	10
E-F	0.0	0.0	-0.0103	-0.0103	2	0	0	8	0	0	0
E-G	-7.1602	-18.575	-55.1485	-80.8837	42	0	0	2600	2	26	23
E-H	0.0	0.0	-28.4331	-28.4331	15	1	2	1119	0	0	1
F-G	-17.9131	-5.4085	-102.636	-125.9576	38	5	1	3895	2	10	10

Interface residues

• A-C: ALA185A, ARG147C, ASN162C, ASN187A, ASP121C, ASP146C, ASP161C, ASP179A, ASP65C, GLN191A, GLU120C, GLU125C, GLU186A, GLY181A, HIS122C, HIS70C, ILE123C, ILE178A, ILE67C, LEU127C, LEU188A, LYS126C, LYS158C, LYS182A, MET160C, MET163C, PHE190A, SER159C, SER184A, THR157C, THR164C, THR183A, THR68C, TYR124C, TYR189A, VAL180A, VAL85C
• A-D: ALA185A, ALA185D, ASN187A, ASN187D, ASP179A, GLN191D, GLU186A, GLU186D, GLY181A, LEU188A, LEU188D, LYS182A, LYS182D, PHE190A, PHE190D, SER184A, SER184D, THR183A, THR183D, TYR189A, TYR189D, VAL180A
• A-E: ALA185A, ARG166E, ARG74E, ASN187A, ASN73E, ASP173E, ASP75E, GLN191A, GLU169E, GLU186A, GLU77E, GLY76E, HIS70E, ILE118E, ILE72E, LEU188A, LEU79E, PHE190A, PHE71E, PRO168E, SER184A, THR164E, THR78E, THR80E, TYR189A, VAL167E
• A-F: ALA185A, GLN191A, GLN191F, GLU186A, LEU188A, LEU188F, LYS182A, SER184A, THR183A, TYR189F
• A-G: ALA105A, ALA105G, ALA111A, ALA111G, ALA141A, ALA141G, ALA172A, ALA172G, ALA174A, ALA174G, ALA185A, ALA185G, ARG147A, ARG147G, ARG166A, ARG166G, ARG175A, ARG175G, ARG74A, ARG74G, ASN135A, ASN135G, ASP101A, ASP101G, ASP121A, ASP121G, ASP136A, ASP136G, ASP139A, ASP139G, ASP146A, ASP146G, ASP173A, ASP173G, ASP179A, ASP179G, CYS106A, CYS106G, CYS112A, CYS112G, GLN191G, GLU107A, GLU107G, GLU120A, GLU120G, GLU169A, GLU169G, GLU186G, GLY102A, GLY102G, GLY104A, GLY104G, GLY108A, GLY108G, GLY143A, GLY143G, GLY181A, GLY181G, GLY76A, HIS116A, HIS116G, HIS122A, HIS122G, HIS70A, HIS70G, ILE118A, ILE118G, ILE123A, ILE123G, ILE178A, ILE178G, ILE72A, ILE72G, LEU110A, LEU110G, LEU117A, LEU138A, LEU138G, LEU140A, LEU140G, LEU144A, LEU144G, LYS182A, LYS182G, MET137A, MET137G, MET163A, MET163G, PHE103A, PHE103G, PHE119A, PHE119G, PHE71A, PHE71G, PRO168A, PRO168G, SER113A, SER113G, SER148A, SER148G, SER177A, SER177G, SER184A, SER184G, THR109A, THR109G, THR114A, THR114G, THR145A, THR145G, THR164A, THR164G, THR170A, THR170G, THR183A, THR183G, TYR124A, TYR124G, TYR142A, TYR142G, VAL165A, VAL165G, VAL167A, VAL167G, VAL171A, VAL171G, VAL180A, VAL180G
• B-D: ARG147B, ARG147D, ARG166B, ARG166D, ASP121B, ASP121D, ASP146B, ASP146D, GLU120B, GLU120D, GLU125B, GLU125D, ILE118B, ILE118D, PHE119B, PHE119D, THR145B, THR145D, TYR124B, TYR124D
• B-E: ALA185E, ARG147B, ASN162B, ASN187E, ASP121B, ASP146B, ASP161B, ASP179E, GLN191E, GLU120B, GLU125B, GLU186E, GLY181E, HIS122B, HIS70B, ILE123B, ILE178E, ILE67B, ILE72B, LEU127B, LEU188E, LYS126B, LYS182E, MET160B, MET163B, PHE119B, PHE190E, SER159B, SER184E, THR164B, THR183E, THR68B, THR78B, THR80B, TYR124B, TYR189E, VAL180E, VAL69B
• B-H: ALA105B, ALA105H, ALA111B, ALA111H, ALA141B, ALA141H, ALA172B, ALA172H, ALA174B, ALA174H, ALA185B, ALA185H, ARG147B, ARG147H, ARG166B, ARG166H, ARG175B, ARG175H, ARG74B, ARG74H, ASN135B, ASN135H, ASN162B, ASN187H, ASP101B, ASP101H, ASP121B, ASP121H, ASP136B, ASP136H, ASP139B, ASP139H, ASP146B, ASP146H, ASP173B, ASP173H, ASP179B, ASP179H, CYS106B, CYS106H, CYS112B, CYS112H, GLN191B, GLN191H, GLU107B, GLU107H, GLU120B, GLU120H, GLU169B, GLU169H, GLU186B, GLU77B, GLY102B, GLY102H, GLY104B, GLY104H, GLY108B, GLY108H, GLY143B, GLY143H, GLY181B, GLY181H, GLY76B, HIS116B, HIS116H, HIS122H, HIS70B, HIS70H, ILE118B, ILE118H, ILE123H, ILE178B, ILE178H, ILE72B, ILE72H, LEU110B, LEU110H, LEU117H, LEU138B, LEU138H, LEU140B, LEU140H, LEU144B, LEU144H, LEU188B, LEU188H, LEU79B, LYS182B, LYS182H, MET137B, MET137H, MET163B, MET163H, PHE103B, PHE103H, PHE119B, PHE119H, PHE190H, PHE71B, PRO168B, PRO168H, SER113B, SER113H, SER148B, SER148H, SER177B, SER177H, SER184B, SER184H, THR109B, THR109H, THR114B, THR114H, THR145B, THR145H, THR164B, THR164H, THR170B, THR170H, THR183B, THR183H, THR68B, THR78B, THR80B, THR81B, TYR124B, TYR124H, TYR142B, TYR142H, TYR189H, VAL165B, VAL165H, VAL167B, VAL167H, VAL171B, VAL171H, VAL180B, VAL180H, VAL69B
• C-D: ALA185D, ASN187D, ASP121C, ASP128C, ASP161C, GLN191D, GLU125C, GLU186D, GLY86C, HIS122C, ILE123C, ILE67C, LEU127C, LEU156C, LEU188D, LYS126C, LYS158C, LYS182D, MET160C, MET163C, PHE190D, SER159C, SER184D, THR157C, TYR124C, TYR189D, VAL85C
• C-F: ALA105C, ALA105F, ALA111C, ALA111F, ALA141C, ALA141F, ALA172C, ALA172F, ALA174C, ALA174F, ALA185C, ALA185F, ARG147C, ARG147F, ARG166C, ARG166F, ARG175C, ARG175F, ARG74C, ARG74F, ASN135F, ASN162C, ASP101C, ASP101F, ASP121C, ASP121F, ASP136C, ASP136F, ASP139C, ASP139F, ASP146C, ASP146F, ASP173C, ASP173F, ASP179C, ASP179F, CYS106C, CYS106F, CYS112C, CYS112F, GLN191F, GLU107C, GLU107F, GLU120C, GLU120F, GLU169C, GLU169F, GLU186F, GLY102C, GLY102F, GLY104C, GLY104F, GLY108C, GLY108F, GLY143C, GLY143F, GLY181C, GLY181F, GLY76C, HIS116C, HIS116F, HIS122C, HIS70C, HIS70F, ILE118C, ILE118F, ILE123C, ILE178C, ILE178F, ILE72C, ILE72F, LEU110C, LEU110F, LEU117C, LEU138C, LEU138F, LEU140C, LEU140F, LEU144C, LEU144F, LYS182C, LYS182F, MET137C, MET137F, MET163C, MET163F, PHE103C, PHE103F, PHE119C, PHE119F, PHE71F, PRO168C, PRO168F, SER113C, SER113F, SER148C, SER148F, SER177C, SER177F, SER184C, SER184F, THR109C, THR109F, THR114C, THR114F, THR145C, THR145F, THR164C, THR164F, THR170C, THR170F, THR183C, THR183F, THR78C, TYR124C, TYR124F, TYR142C, TYR142F, VAL165C, VAL165F, VAL167C, VAL167F, VAL171C, VAL171F, VAL180C, VAL180F
• C-G: ARG147C, ARG147G, ARG166C, ASP121C, ASP121G, ASP146C, ASP146G, GLU120C, GLU120G, GLU125G, ILE118C, ILE118G, PHE119C, PHE119G, THR145C, THR145G, TYR124C, TYR124G
• D-E: ALA105D, ALA105E, ALA111D, ALA111E, ALA141D, ALA141E, ALA172D, ALA172E, ALA174D, ALA174E, ALA185D, ALA185E, ARG147D, ARG147E, ARG166D, ARG166E, ARG175D, ARG175E, ARG74D, ARG74E, ASN135D, ASN135E, ASN162E, ASN187D, ASP101D, ASP101E, ASP121D, ASP121E, ASP136D, ASP136E, ASP139D, ASP139E, ASP146D, ASP146E, ASP173D, ASP173E, ASP179D, ASP179E, CYS106D, CYS106E, CYS112D, CYS112E, GLN191D, GLU107D, GLU107E, GLU120D, GLU120E, GLU169D, GLU169E, GLU186E, GLU77E, GLY102D, GLY102E, GLY104D, GLY104E, GLY108D, GLY108E, GLY143D, GLY143E, GLY181D, GLY181E, GLY76E, HIS116D, HIS116E, HIS122E, HIS70D, HIS70E, ILE118D, ILE118E, ILE123D, ILE178D, ILE178E, ILE72D, ILE72E, LEU110D, LEU110E, LEU117D, LEU138D, LEU138E, LEU140D, LEU140E, LEU144D, LEU144E, LEU188D, LEU188E, LEU79E, LYS182D, LYS182E, MET137D, MET137E, MET163D, MET163E, PHE103D, PHE103E, PHE119D, PHE119E, PHE190D, PHE71E, PRO168D, PRO168E, SER113D, SER113E, SER148D, SER148E, SER177D, SER177E, SER184D, SER184E, THR109D, THR109E, THR114D, THR114E, THR145D, THR145E, THR164D, THR164E, THR170D, THR170E, THR183D, THR183E, THR68E, THR78D, THR78E, THR80E, THR81E, TYR124D, TYR124E, TYR142D, TYR142E, TYR189D, VAL165D, VAL165E, VAL167D, VAL167E, VAL171D, VAL171E, VAL180D, VAL180E, VAL69E
• D-G: ARG166G, ARG74G, ASN73G, ASP75G, GLN191D, GLU169G, GLY76G, ILE118G, ILE72G, PHE190D, PRO168G, THR145G, VAL167G
• D-H: ALA185H, ARG147D, ASN162D, ASN187H, ASP121D, ASP146D, ASP161D, ASP179H, GLU120D, GLU125D, GLU186H, GLY181H, HIS122D, ILE123D, LEU127D, LYS126D, LYS182H, MET160D, MET163D, SER159D, SER184H, THR164D, THR183H, TYR124D, VAL180H
• E-F: GLU77E, LEU188F
• E-G: ALA172G, ALA174G, ARG166G, ARG175G, ARG74G, ASN162E, ASN73G, ASN96E, ASN97E, ASP101G, ASP161E, ASP173G, ASP65E, ASP75G, ASP99E, ASP99G, GLN176G, GLU169G, GLU77G, GLU95E, GLY76G, GLY83E, HIS70E, ILE67E, ILE72G, LEU79E, LEU98E, LYS158E, LYS66E, LYS82E, MET160E, PHE71E, PRO168G, SER159E, THR170G, THR68E, THR78E, THR78G, THR80E, THR81E, VAL69E, VAL92E
• E-H: ALA185H, ASN187E, ASN187H, GLN191E, GLN191H, GLU186H, LEU188E, LEU188H, LYS182H, PHE190E, PHE190H, SER184H, THR183H, TYR189E, TYR189H
• F-G: ALA185F, ARG147G, ARG166G, ASN162G, ASN187F, ASP121G, ASP146G, ASP161G, ASP179F, GLN191F, GLU120G, GLU125G, GLU186F, GLY181F, HIS122G, HIS70G, ILE123G, ILE178F, ILE72G, LEU127G, LEU188F, LYS126G, LYS182F, MET160G, MET163G, PHE190F, SER159G, SER184F, THR164G, THR183F, THR68G, THR78G, THR80G, TYR124G, TYR189F, VAL165G, VAL180F, VAL69G