3C0D

crystal structure of the putative nitrite reductase nadph (small subunit) oxidoreductase protein q87hb1. northeast structural genomics consortium target vpr162

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: B-G
  • Int. Res.: 41
  • Norm. En. per Res.: -2.471
• Hub Node: A(4)

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	0.0	11.9163	-44.517	-32.6007	33	1	1	2275	0	2	6
A-D	0.0	-1.2349	-2.2755	-3.5103	17	0	0	246	0	7	7
A-E	0.0	16.7046	-25.7665	-9.0619	15	1	0	653	0	2	11
A-F	0.0	0.0	-0.029	-0.029	5	0	0	23	0	1	0
B-C	0.0	0.0	-0.0116	-0.0116	4	0	0	4	0	1	0
B-F	0.0	17.1198	-45.8572	-28.7373	32	0	1	2290	0	4	7
B-G	-27.1066	-4.8828	-69.3218	-101.3112	41	5	6	3751	0	10	13
B-H	-3.3078	0.005	-11.6249	-14.9277	11	0	0	409	0	4	6
C-E	-10.1131	-6.0358	-12.1985	-28.3474	20	1	0	644	1	6	4
C-F	-18.2895	-4.5547	-63.9999	-86.8441	40	3	7	3703	0	10	13
C-H	0.0	4.4566	-93.1357	-88.6792	42	4	0	3274	2	17	18
E-H	0.0	0.0	-0.0192	-0.0192	6	0	0	9	0	1	0
F-G	0.0	-0.8632	-1.5166	-2.3798	14	0	0	180	0	5	7
F-H	0.0	9.4785	-1.8911	7.5874	15	0	0	254	0	6	6

Interface residues

• A-C: ARG57A, ARG57C, ASN103C, ASP13C, ASP14C, ASP37A, ASP37C, ASP62A, GLN11C, GLY20A, GLY58A, GLY61A, GLY61C, HIS77A, ILE19A, ILE19C, ILE35A, ILE35C, ILE59A, ILE59C, LEU12C, LEU15C, PHE18A, PHE18C, PHE33A, PRO17A, PRO17C, PRO36A, PRO36C, TYR34A, TYR34C, VAL60A, VAL60C
• A-D: ASN64D, ASP37D, ASP62D, ASP88A, GLN76A, GLU87A, GLY50A, GLY61D, GLY65D, ILE35D, ILE49A, LYS51A, LYS75A, PHE18D, PRO36D, TYR74A, VAL60D
• A-E: ASN103A, ASN103E, ASP101A, ASP101E, ASP102A, ASP102E, ASP13A, GLN104A, GLN104E, GLN11A, GLN11E, LEU12A, LEU12E, VAL100A, VAL100E
• A-F: ASN64A, ASP62A, GLY65A, HIS91F, LYS51F
• B-C: ASN64B, ASP88C, HIS91C, ILE49C
• B-F: ARG57B, ASN103F, ASP13F, ASP14F, ASP37B, ASP37F, ASP62B, GLN11F, GLY20B, GLY58B, GLY61B, GLY61F, HIS77B, ILE19B, ILE19F, ILE35B, ILE35F, ILE59B, ILE59F, LEU12F, LEU15F, PHE18B, PHE18F, PHE33B, PRO17B, PRO17F, PRO36B, PRO36F, TYR34B, TYR34F, VAL60B, VAL60F
• B-G: ALA52B, ALA52G, ARG29B, ARG29G, ARG57B, ARG57G, ASP45B, ASP45G, ASP47B, ASP47G, GLY50B, GLY50G, GLY58B, GLY58G, ILE49B, ILE49G, ILE59B, ILE59G, LEU24B, LEU73B, LEU73G, LYS51B, LYS51G, LYS75B, LYS75G, PRO72B, PRO72G, SER56B, SER56G, SER71B, SER71G, THR22B, THR22G, TRP46B, TRP46G, TYR53B, TYR53G, TYR74B, TYR74G, VAL54B, VAL54G
• B-H: ASN103H, ASP101H, ASP102H, ASP37B, CYS10H, GLN104H, GLN11H, ILE35B, LYS8H, PRO36B, SER38B
• C-E: ASN103C, ASP102C, ASP13C, ASP37E, ASP62E, CYS10C, GLN104C, GLN11C, GLU66E, GLY65E, ILE35E, LEU12C, LYS6C, LYS8C, PHE18E, PRO36E, SER38E, TYR41E, VAL105C, VAL7C
• C-F: ALA52C, ALA52F, ARG29C, ARG29F, ARG57C, ARG57F, ASP45C, ASP45F, ASP47C, ASP47F, GLY50C, GLY50F, GLY58C, GLY58F, ILE49C, ILE49F, ILE59C, ILE59F, LEU73C, LEU73F, LYS51C, LYS51F, LYS75C, LYS75F, PRO72C, PRO72F, SER56C, SER56F, SER71C, SER71F, THR22C, THR22F, TRP46C, TRP46F, TYR53C, TYR53F, TYR74C, TYR74F, VAL54C, VAL54F
• C-H: ALA52C, ALA52H, ARG29C, ARG29H, ASP45C, ASP45H, ASP47C, ASP47H, CYS92C, CYS92H, GLN44C, GLN44H, GLU26C, GLU26H, GLU28C, GLU28H, GLY27C, GLY27H, HIS91C, HIS91H, ILE25C, ILE25H, ILE49C, ILE49H, LEU24C, LEU24H, LYS51C, LYS51H, LYS94C, LYS94H, PRO48C, PRO48H, TRP46C, TRP46H, TRP96C, TRP96H, TYR107C, TYR107H, TYR53C, TYR53H, VAL7C, VAL7H
• E-H: ASN64E, ASP62E, GLY65E, HIS91H, ILE63E, LYS51H
• F-G: ASN64F, ASP37F, ASP62F, GLN76G, GLU87G, GLY50G, GLY61F, GLY65F, ILE35F, LYS51G, LYS75G, PHE18F, PRO36F, TYR74G
• F-H: ARG29F, ARG29H, ASP13F, ASP13H, ASP14F, ASP14H, CYS10F, CYS10H, GLN11F, GLN11H, LEU24F, LEU24H, THR22F, THR22H, TYR53H