3GNN

crystal structure of nicotinate-nucleotide pyrophosphorylase from burkholderi pseudomallei

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 147
  • Norm. En. per Res.: -3.1589
• 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-B	-83.9528	-91.349	-289.054	-464.3558	147	14	8	12759	9	60	43
A-D	-18.8433	0.0	-39.222	-58.0653	20	2	0	1794	0	0	0
A-E	0.0	0.0	-0.8952	-0.8952	10	0	0	140	0	0	0
B-D	0.0	0.0	-3.5893	-3.5893	7	0	0	217	0	0	0
B-E	-17.8262	0.0	-37.8057	-55.6319	18	3	0	1649	0	0	0

Interface residues

• A-B: ALA117A, ALA117B, ALA158A, ALA158B, ALA19A, ALA19B, ALA20A, ALA20B, ALA23A, ALA23B, ALA24A, ALA24B, ALA278A, ALA278B, ALA285A, ALA285B, ALA30A, ALA30B, ALA32A, ALA32B, ALA34A, ALA34B, ARG115A, ARG115B, ARG149A, ARG149B, ARG156A, ARG156B, ARG27A, ARG27B, ARG284A, ARG284B, ARG291A, ARG60A, ARG60B, ASN116A, ASN116B, ASN119A, ASN119B, ASN233A, ASN233B, ASN259B, ASN28A, ASN28B, ASP232A, ASP232B, ASP282A, ASP282B, ASP287A, ASP287B, ASP31A, ASP31B, ASP36A, ASP36B, ASP41B, ASP97A, GLN122A, GLN122B, GLN159A, GLN159B, GLN171A, GLN217B, GLN42B, GLU114A, GLU16A, GLU16B, GLU211A, GLU211B, GLU213A, GLU213B, GLU35A, GLU35B, GLY126A, GLY126B, GLY154A, GLY154B, GLY256B, GLY257B, GLY277A, GLY277B, GLY38A, GLY38B, GLY40A, GLY40B, ILE13B, LEU118A, LEU118B, LEU121A, LEU121B, LEU123A, LEU123B, LEU124A, LEU124B, LEU152A, LEU152B, LEU155A, LEU155B, LEU157A, LEU157B, LEU279B, LEU33A, LEU33B, LYS150A, LYS150B, LYS160A, LYS160B, LYS281A, LYS281B, MET290A, PHE120A, PHE120B, PHE21A, PHE21B, PHE234B, PHE260A, PRO153A, PRO153B, PRO207A, SER289A, SER39A, SER39B, THR148A, THR148B, THR151A, THR151B, THR280A, THR280B, THR286A, THR286B, TRP70A, TRP70B, TYR17A, TYR17B, VAL127A, VAL127B, VAL206A, VAL208A, VAL212B, VAL258B, VAL283A, VAL283B, VAL29A, VAL29B, VAL37A, VAL37B, VAL74A, VAL74B
• A-D: ALA195A, ALA198A, ALA199A, ARG149A, GLN209A, GLU211A, ILE210A, LEU196A, LEU202A, LEU230A, PRO207A, SER228A, UNK169D, UNK170D, UNK171D, UNK172D, VAL192A, VAL206A, VAL208A, VAL212A
• A-E: ARG115A, GLU114A, GLY40A, LEU111A, SER39A, UNK181E, UNK182E, UNK183E, UNK184E, VAL47A
• B-D: ASP41B, GLN42B, GLU114B, GLY40B, UNK169D, UNK170D, UNK172D
• B-E: ARG149B, ARG156B, GLN209B, GLU16B, GLU211B, GLU253B, ILE210B, LEU146B, LEU230B, LYS160B, SER228B, TYR17B, UNK181E, UNK182E, UNK183E, UNK184E, VAL208B, VAL212B