1XC1

oxo zirconium(iv) cluster in the ferric binding protein (fbp)

• Total interactions analyzed: 36
• Total true interactions: 13
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 28
  • Norm. En. per Res.: -2.8213
• Hub Node: A(3)

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-F	0.0	-1.2259	-28.1709	-29.3968	21	0	0	1186	0	12	12
A-H	-8.5506	5.4479	-56.79	-59.8927	38	5	0	2276	0	16	11
A-I	-10.4729	-9.2534	-37.1848	-56.9112	55	5	0	2191	2	22	26
B-F	-13.6397	-16.0817	-49.276	-78.9974	28	4	0	1886	1	10	11
B-G	-8.3188	13.6898	-57.419	-52.048	39	2	0	2515	0	16	12
C-D	-12.0458	-20.7655	-44.7363	-77.5476	28	5	0	1863	1	11	12
C-E	-3.46	2.0977	-32.0786	-33.4408	23	1	0	1292	0	12	13
C-G	0.0	16.8163	-1.2271	15.5892	8	0	0	110	0	8	7
D-G	0.0	-8.35	-6.8606	-15.2106	15	0	0	360	1	9	16
D-H	-5.6185	0.0	-6.7952	-12.4136	16	0	0	393	3	3	3
E-G	0.0	0.0	-0.0059	-0.0059	2	0	0	4	0	1	1
F-G	-2.2766	20.2307	-22.3294	-4.3753	39	2	0	1198	0	17	23
F-I	-6.6122	14.6591	-61.2836	-53.2367	40	2	0	2506	0	18	12

Interface residues

• A-F: ALA19F, ALA23F, ARG110A, ARG22F, ASN184A, ASP108A, GLU183A, GLU186A, GLU253F, GLY185A, GLY25F, HIS210A, ILE187A, ILE26F, LYS111A, LYS244F, PHE20F, THR109A, THR21F, THR24F, VAL182A
• A-H: ALA281A, ALA51H, ARG256A, ARG48H, ARG83A, ASN238H, ASN268A, ASN80A, ASP1H, ASP52H, GLN237H, GLU253A, GLU45H, GLU81A, GLY251A, GLY46H, GLY84A, HIS270A, ILE280A, LEU267A, LYS239H, LYS252A, LYS282A, LYS29H, LYS85A, PRO266A, PRO269A, PRO279A, PRO50H, SER235H, SER236H, SER47H, SER49H, SER77A, THR3H, THR82A, VAL271A, VAL87A
• A-I: ALA173A, ALA199A, ALA23I, ALA247I, ALA250I, ALA33A, ALA76I, ARG22I, ARG256I, ASN268I, ASN31A, ASN80I, ASP18A, ASP240I, GLN14A, GLN180A, GLN255I, GLN37A, GLU11A, GLU203A, GLU241I, GLU253I, GLU81I, GLY251I, GLY254I, GLY25I, HIS270I, HIS9A, ILE26I, LEU30A, LYS10A, LYS174A, LYS204A, LYS239I, LYS243I, LYS244I, LYS252I, LYS29A, LYS34A, PHE200A, PHE20I, PHE248I, PRO269I, PRO75I, SER176A, SER32A, SER77I, THR21I, THR24I, THR3A, THR78I, VAL177A, VAL261A, VAL271I, VAL28A
• B-F: ALA181F, ALA19B, ALA23B, ARG110F, ARG22B, ASN184F, ASN208F, ASP108F, ASP18B, GLN207F, GLU183F, GLU186F, GLU253B, GLY185F, GLY25B, HIS210F, ILE187F, ILE26B, LYS111F, LYS170F, LYS244B, LYS27B, PHE20B, THR109F, THR21B, THR24B, VAL182F, VAL209F
• B-G: ALA281B, ALA51G, ARG256B, ARG48G, ARG83B, ASN238G, ASN268B, ASN80B, ASP1G, ASP52G, GLN237G, GLU253B, GLU44G, GLU45G, GLU81B, GLY251B, GLY46G, GLY84B, GLY86B, HIS270B, ILE280B, LEU233G, LEU267B, LYS252B, LYS29G, LYS43G, LYS85B, PRO269B, PRO279B, PRO50G, SER235G, SER236G, SER47G, SER49G, THR3G, THR82B, VAL271B, VAL272B, VAL87B
• C-D: ALA181D, ALA19C, ALA23C, ARG110D, ARG22C, ASN184D, ASN208D, ASP108D, ASP18C, ASP1C, GLN180D, GLN207D, GLU183D, GLU186D, GLY185D, GLY25C, HIS210D, ILE187D, ILE26C, LYS204D, LYS244C, LYS27C, PHE200D, PHE20C, THR109D, THR21C, THR24C, VAL209D
• C-E: ALA19E, ALA23E, ARG110C, ARG22E, ASN184C, ASN208C, ASP108C, GLU183C, GLU186C, GLU253E, GLY185C, GLY25E, HIS210C, ILE187C, ILE26E, LYS111C, LYS244E, LYS27E, PHE20E, THR109C, THR21E, THR24E, VAL182C
• C-G: GLU11C, GLU167G, GLU203C, HIS9C, LYS10C, LYS130G, LYS163G, LYS204C
• D-G: ASN123G, ASN131D, ASP116G, GLU118G, GLU167D, HIS218G, LEU117G, LYS115G, LYS119G, LYS128G, LYS130D, LYS166D, LYS170D, PRO127D, TYR168D
• D-H: ALA173H, ALA181H, ALA76D, ARG83D, ASN184H, ASN80D, GLN180H, GLU186H, GLU81D, GLY185H, HIS270D, LYS170H, PRO171H, SER77D, TYR172H, VAL177H
• E-G: ASN80E, GLU186G
• F-G: ALA33F, ALA76G, ASN268G, ASN31F, ASN6F, ASN80G, ASP18F, ASP240G, GLN14F, GLN37F, GLN8F, GLU11F, GLU203F, GLU81G, GLY251G, GLY25G, GLY7F, HIS270G, HIS9F, LEU30F, LEU38F, LYS10F, LYS174F, LYS204F, LYS239G, LYS243G, LYS252G, LYS29F, LYS34F, PHE200F, PRO269G, SER32F, SER77G, THR24G, THR3F, VAL261F, VAL271G, VAL28F, VAL4F
• F-I: ALA281F, ALA51I, ARG256F, ARG48I, ARG83F, ASN238I, ASN268F, ASN80F, ASP1I, ASP52I, GLN237I, GLU241I, GLU253F, GLU44I, GLU45I, GLU81F, GLY251F, GLY46I, GLY84F, GLY86F, HIS270F, ILE280F, LEU267F, LYS234I, LYS239I, LYS252F, LYS282F, LYS43I, LYS85F, PRO269F, PRO279F, PRO50I, SER235I, SER236I, SER47I, SER49I, SER77F, THR82F, VAL271F, VAL87F