3L0G

crystal structure of nicotinate-nucleotide pyrophosphorylase from ehrlichia chaffeensis at 2.05a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 242
  • Norm. En. per Res.: -4.3342
• 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	0.0	21.2253	-20.7076	0.5177	28	0	0	1098	0	18	22
A-C	-163.0319	-132.0317	-753.818	-1048.8816	242	33	14	30448	14	98	87
A-D	0.0	0.0	-0.0563	-0.0563	5	0	0	25	0	7	9
B-C	0.0	-11.1389	-12.1141	-23.253	16	0	0	674	2	11	13
B-D	-136.1774	-118.7317	-773.277	-1028.1862	245	33	15	30718	14	96	85
C-D	0.0	15.1987	-50.1915	-34.9928	54	0	0	2355	2	32	32

Interface residues

• A-B: ASN11A, ASN11B, ASN57B, ASP19A, ASP19B, GLU61B, GLU7A, GLU7B, GLY18A, GLY18B, HIS10A, HIS10B, ILE8A, ILE9B, LEU13B, LYS14A, LYS14B, LYS20A, LYS60A, LYS60B, MET138B, MET58A, MET58B, PHE5B, SER4A, SER4B, SER6A, SER6B
• A-C: ALA105A, ALA105C, ALA12A, ALA12C, ALA168A, ALA168C, ALA176A, ALA176C, ALA190A, ALA190C, ALA37A, ALA86A, ALA86C, ALA88A, ALA88C, ARG130A, ARG130C, ARG137A, ARG137C, ARG153A, ARG153C, ARG179A, ARG179C, ARG181A, ARG181C, ARG41A, ARG41C, ARG96A, ARG96C, ASN100A, ASN100C, ASN11A, ASN11C, ASN155A, ASN155C, ASN165A, ASN165C, ASN183A, ASN183C, ASN214C, ASN262A, ASN262C, ASN266A, ASN266C, ASN26A, ASN26C, ASN31A, ASN31C, ASN35A, ASN35C, ASP140A, ASP140C, ASP154A, ASP154C, ASP158A, ASP158C, ASP164A, ASP164C, ASP16A, ASP16C, ASP19A, ASP19C, ASP22A, ASP22C, ASP268A, ASP268C, ASP272A, ASP272C, CYS157A, CYS157C, CYS170A, CYS170C, CYS238C, CYS259A, CYS259C, GLN103A, GLN103C, GLN178A, GLN178C, GLN265A, GLN265C, GLU15A, GLU15C, GLU187A, GLU187C, GLU192A, GLU192C, GLU274A, GLU274C, GLU32A, GLU32C, GLU7A, GLU7C, GLU95A, GLU95C, GLY107A, GLY107C, GLY135A, GLY135C, GLY159A, GLY159C, GLY171A, GLY171C, GLY18A, GLY18C, GLY21A, GLY21C, GLY258C, GLY270A, GLY270C, HIS104A, HIS104C, HIS10A, HIS10C, HIS166A, HIS166C, ILE102A, ILE102C, ILE108A, ILE108C, ILE162A, ILE162C, ILE167A, ILE167C, ILE173A, ILE173C, ILE177A, ILE177C, ILE189A, ILE189C, ILE191A, ILE191C, ILE23A, ILE23C, ILE269A, ILE269C, ILE273A, ILE273C, ILE28A, ILE28C, ILE30A, ILE30C, ILE51A, ILE51C, ILE89A, ILE89C, ILE8A, ILE8C, ILE94A, ILE94C, ILE98A, ILE98C, ILE9A, ILE9C, LEU136A, LEU136C, LEU139A, LEU139C, LEU13A, LEU13C, LEU156A, LEU156C, LEU161A, LEU161C, LEU175A, LEU175C, LEU17A, LEU17C, LEU180A, LEU180C, LEU184A, LEU184C, LEU271A, LEU271C, LEU29A, LEU29C, LEU87C, LEU91A, LEU91C, LEU92A, LEU92C, LEU99A, LEU99C, LYS131A, LYS131C, LYS141A, LYS141C, LYS14A, LYS14C, LYS163A, LYS163C, LYS182A, LYS182C, LYS185A, LYS20A, LYS20C, LYS267A, LYS267C, LYS33A, LYS33C, MET138A, MET138C, PHE101A, PHE101C, PHE264A, PHE264C, PHE36A, PHE36C, PRO134A, PRO134C, PRO93A, PRO93C, SER169A, SER169C, SER172A, SER172C, SER263A, SER263C, SER27A, SER27C, THR129A, THR129C, THR132A, THR132C, THR133A, THR133C, THR24A, THR24C, THR25A, THR25C, THR261A, THR261C, TYR152A, TYR152C, TYR188A, TYR188C, VAL160A, VAL160C, VAL34A, VAL34C, VAL97A, VAL97C
• A-D: ASN11A, ASN11D, GLU7D, HIS10D, LYS14A
• B-C: ASN11B, ASN11C, ASP19B, ASP19C, GLU15B, GLU15C, GLU7B, GLU7C, GLY18B, GLY18C, HIS10B, HIS10C, LYS14B, LYS14C, LYS20B, LYS20C
• B-D: ALA105B, ALA105D, ALA12B, ALA12D, ALA168B, ALA168D, ALA176B, ALA176D, ALA190B, ALA190D, ALA37B, ALA37D, ALA88B, ALA88D, ARG130B, ARG130D, ARG137B, ARG137D, ARG153B, ARG153D, ARG179B, ARG179D, ARG181B, ARG181D, ARG41B, ARG41D, ARG96B, ARG96D, ASN100B, ASN100D, ASN11B, ASN11D, ASN155B, ASN155D, ASN165B, ASN165D, ASN183B, ASN183D, ASN214D, ASN262B, ASN262D, ASN266B, ASN266D, ASN26B, ASN26D, ASN31B, ASN31D, ASN35B, ASN35D, ASP140B, ASP140D, ASP154B, ASP154D, ASP158B, ASP158D, ASP164B, ASP164D, ASP16B, ASP16D, ASP19B, ASP19D, ASP22B, ASP22D, ASP268B, ASP268D, ASP272B, ASP272D, CYS157B, CYS157D, CYS170B, CYS170D, CYS238D, CYS259B, CYS259D, GLN103B, GLN103D, GLN178B, GLN178D, GLN265B, GLN265D, GLU15B, GLU15D, GLU187B, GLU187D, GLU192B, GLU192D, GLU274B, GLU274D, GLU32B, GLU32D, GLU42B, GLU7B, GLU7D, GLU95B, GLU95D, GLY107B, GLY107D, GLY135B, GLY135D, GLY159B, GLY159D, GLY171B, GLY171D, GLY18B, GLY18D, GLY21B, GLY21D, GLY258B, GLY258D, GLY270B, GLY270D, HIS104B, HIS104D, HIS10D, HIS166B, HIS166D, ILE102B, ILE102D, ILE108B, ILE108D, ILE162B, ILE162D, ILE167B, ILE167D, ILE173B, ILE173D, ILE177B, ILE177D, ILE189B, ILE189D, ILE191B, ILE191D, ILE23B, ILE23D, ILE269B, ILE269D, ILE273B, ILE273D, ILE28B, ILE28D, ILE30B, ILE30D, ILE51B, ILE51D, ILE89B, ILE89D, ILE8B, ILE8D, ILE94B, ILE94D, ILE98B, ILE98D, ILE9B, ILE9D, LEU136B, LEU136D, LEU139B, LEU139D, LEU13B, LEU13D, LEU156B, LEU156D, LEU161B, LEU161D, LEU175B, LEU175D, LEU17B, LEU17D, LEU180B, LEU180D, LEU184B, LEU184D, LEU271B, LEU271D, LEU29B, LEU29D, LEU87B, LEU87D, LEU91B, LEU91D, LEU92B, LEU92D, LEU99B, LEU99D, LYS131B, LYS131D, LYS141B, LYS141D, LYS14B, LYS14D, LYS163B, LYS163D, LYS182B, LYS182D, LYS185B, LYS20B, LYS20D, LYS267B, LYS267D, LYS33B, LYS33D, MET138B, MET138D, PHE101B, PHE101D, PHE264B, PHE264D, PHE36B, PHE36D, PRO134B, PRO134D, PRO93B, PRO93D, SER169B, SER169D, SER172B, SER172D, SER263B, SER263D, SER27B, SER27D, THR129B, THR129D, THR132B, THR132D, THR133B, THR133D, THR24B, THR24D, THR25B, THR25D, THR261B, THR261D, TYR152B, TYR152D, TYR188B, TYR188D, TYR275B, TYR275D, VAL160B, VAL160D, VAL34B, VAL34D, VAL97B, VAL97D
• C-D: ALA12D, ASN11C, ASN11D, ASN26D, ASN57C, ASN57D, ASN59C, ASP158C, ASP158D, ASP16D, ASP19C, ASP19D, ASP22D, CYS157D, GLU15D, GLU54C, GLU54D, GLU7C, GLU7D, GLY18D, GLY21D, HIS10C, HIS10D, HIS62C, ILE3C, ILE3D, ILE8C, ILE8D, ILE94D, ILE9C, ILE9D, LEU13C, LEU13D, LEU17C, LEU17D, LYS14C, LYS14D, LYS20D, LYS2C, LYS2D, LYS60C, MET138D, MET1C, MET58C, MET58D, PHE5C, PHE5D, PRO93D, SER4C, SER4D, SER6C, SER6D, TYR90C, VAL55C