2P10

crystal structure of a putative phosphonopyruvate hydrolase (mll9387) from mesorhizobium loti maff303099 at 2.15 a resolution

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 203
  • Norm. En. per Res.: -4.7653
• 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-B	-112.8865	-113.0803	-705.457	-931.4238	199	20	20	27623	3	70	72
A-D	0.0	-13.586	-33.7169	-47.3029	24	0	1	1547	0	6	7
A-E	-83.9491	9.9306	-412.238	-486.2565	119	11	18	14463	0	10	6
A-F	0.0	-15.3133	-41.6309	-56.9442	26	2	1	1798	0	9	10
B-C	0.0	0.0	-23.1381	-23.1381	21	1	0	1107	0	3	4
B-D	-87.9471	10.2078	-406.03	-483.7693	119	14	18	14451	0	8	6
B-E	0.0	0.0	-16.6273	-16.6273	19	0	0	914	0	4	4
C-D	-114.7722	-119.2019	-733.389	-967.3631	203	18	20	28271	2	72	73
C-E	0.0	-14.4444	-36.0736	-50.518	25	1	1	1552	0	7	8
C-F	-76.8589	9.7246	-422.358	-489.4923	120	12	20	14825	0	10	6
D-F	0.0	0.0	-23.6674	-23.6674	22	0	0	1217	0	7	6
E-F	-84.8636	-136.6875	-674.437	-895.9881	198	18	19	26667	5	74	71

Interface residues

• A-B: ALA237A, ALA237B, ALA242A, ALA242B, ALA258A, ALA258B, ALA25A, ALA25B, ALA266A, ALA266B, ALA269A, ALA269B, ALA276A, ALA276B, ALA279A, ALA279B, ALA285B, ALA34A, ALA34B, ALA40A, ALA40B, ALA45A, ALA45B, ALA62A, ALA62B, ALA84A, ALA84B, ARG243A, ARG243B, ARG263A, ARG263B, ARG271A, ARG271B, ARG281A, ARG281B, ARG282A, ARG282B, ARG58A, ARG58B, ARG60A, ARG60B, ARG64A, ARG64B, ARG85A, ARG85B, ASN214B, ASN238A, ASN238B, ASN75B, ASP241A, ASP241B, ASP247A, ASP247B, ASP47A, ASP47B, ASP49A, ASP49B, CYS249A, CYS249B, CYS252A, CYS252B, GLN250A, GLN250B, GLN273A, GLN273B, GLN283A, GLN283B, GLU240A, GLU240B, GLU262A, GLU262B, GLU267A, GLU267B, GLU268A, GLU268B, GLU27A, GLU27B, GLU43A, GLU43B, GLU44A, GLU44B, GLU86A, GLU86B, GLY251A, GLY251B, GLY254A, GLY254B, GLY257A, GLY257B, GLY26A, GLY26B, GLY31A, GLY31B, GLY32A, GLY32B, GLY33A, GLY33B, GLY35A, GLY35B, GLY37A, GLY37B, GLY46A, GLY46B, GLY57A, GLY57B, GLY63A, GLY63B, GLY65A, GLY65B, GLY74B, HIS253A, HIS253B, ILE217A, ILE229A, ILE236A, ILE236B, ILE23A, ILE245A, ILE245B, ILE270A, ILE270B, ILE280A, ILE280B, ILE29A, ILE29B, ILE30A, ILE30B, ILE48A, ILE48B, ILE51A, ILE51B, ILE79B, LEU246A, LEU246B, LEU264A, LEU264B, LEU275A, LEU275B, LEU38A, LEU38B, LEU50A, LEU50B, LEU88A, LEU88B, LYS22A, LYS22B, LYS278A, LYS278B, LYS41A, LYS41B, PHE19A, PHE244A, PHE244B, PHE255A, PHE255B, PHE277A, PHE277B, PRO239A, PRO239B, PRO265A, PRO265B, PRO284A, PRO284B, PRO28A, PRO28B, PRO89A, PRO89B, SER231A, SER231B, SER248A, SER248B, SER259A, SER259B, SER260A, SER260B, SER272A, SER272B, SER39A, SER39B, SER42A, SER42B, THR193B, THR274A, THR274B, THR36A, THR36B, THR94A, TYR256A, TYR256B, TYR59A, TYR59B, TYR73A, TYR73B, VAL87A, VAL87B, VAL90A, VAL90B, VAL91A, VAL91B
• A-D: ALA84A, ARG114D, ARG85A, ARG92A, ARG9A, ASN75D, ASN77D, ASP104D, ASP82A, GLN78D, GLU118A, GLU86A, GLY120A, GLY37A, ILE119A, LEU88A, LYS117A, PHE106D, PRO105D, PRO89A, THR111D, VAL108D, VAL87A, VAL90A
• A-E: ALA62A, ALA62E, ALA68A, ALA68E, ALA72A, ALA72E, ALA76A, ALA76E, ARG138A, ARG138E, ARG201E, ARG263A, ARG263E, ARG58A, ARG58E, ARG60A, ARG60E, ARG64A, ARG64E, ASN101A, ASN101E, ASN140A, ASN140E, ASN55A, ASN55E, ASN75A, ASN75E, ASN77A, ASN77E, ASP104A, ASP104E, ASP134A, ASP134E, GLN139A, GLN139E, GLN150A, GLN150E, GLN78A, GLN78E, GLU142A, GLU142E, GLU143A, GLU143E, GLU151A, GLU151E, GLY102A, GLY102E, GLY131A, GLY131E, GLY135A, GLY135E, GLY145A, GLY145E, GLY191A, GLY191E, GLY203A, GLY203E, GLY234E, GLY63A, GLY63E, GLY65A, GLY65E, GLY69A, GLY69E, GLY74A, GLY74E, HIS189A, ILE133A, ILE133E, ILE79A, ILE79E, LEU132A, LEU132E, LEU136A, LEU136E, LEU141A, LEU141E, LEU192A, LEU192E, LEU67A, LEU67E, LEU70A, LEU70E, LEU71A, LEU71E, LYS204E, PHE106A, PHE106E, PHE127A, PHE127E, PHE137A, PHE137E, PRO105A, PRO105E, PRO128A, PRO128E, SER147A, SER147E, SER202E, SER56A, SER56E, SER66A, SER66E, THR103A, THR103E, THR129A, THR129E, THR144A, THR144E, THR193A, THR193E, THR194E, TYR59A, TYR59E, TYR73A, TYR73E, VAL108A, VAL130A, VAL130E
• A-F: ALA84F, ARG114A, ARG85F, ASN75A, ASN77A, ASP104A, ASP82F, GLN78A, GLU115F, GLU118A, GLU118F, GLU86F, GLY120F, GLY37F, ILE119F, LEU88F, LYS117F, PHE106A, PHE121F, PRO105A, PRO89F, SER110A, THR111A, VAL108A, VAL87F, VAL90F
• B-C: ALA84C, ARG114B, ARG85C, ARG92C, ASN75B, ASN77B, ASP104B, GLN78B, GLU118C, GLU86C, GLY120C, GLY37C, ILE119C, LEU88C, PHE106B, PRO105B, PRO89C, THR111B, VAL108B, VAL87C, VAL90C
• B-D: ALA62B, ALA62D, ALA68B, ALA68D, ALA72B, ALA72D, ALA76B, ALA76D, ARG138B, ARG138D, ARG263B, ARG263D, ARG58B, ARG58D, ARG60B, ARG60D, ARG64B, ARG64D, ASN101B, ASN101D, ASN140B, ASN140D, ASN55B, ASN55D, ASN75B, ASN75D, ASN77B, ASN77D, ASP104B, ASP104D, ASP134B, ASP134D, GLN139B, GLN139D, GLN150B, GLN150D, GLN78B, GLN78D, GLU142B, GLU142D, GLU143B, GLU143D, GLU151B, GLU151D, GLY102B, GLY102D, GLY131B, GLY131D, GLY135B, GLY135D, GLY145B, GLY145D, GLY191B, GLY191D, GLY203B, GLY203D, GLY234D, GLY63B, GLY63D, GLY65B, GLY65D, GLY69B, GLY69D, GLY74B, GLY74D, HIS189B, HIS189D, ILE133B, ILE133D, ILE79B, ILE79D, LEU132B, LEU132D, LEU136B, LEU136D, LEU141B, LEU141D, LEU192B, LEU192D, LEU67B, LEU67D, LEU70B, LEU70D, LEU71B, LEU71D, LYS204B, LYS204D, PHE106B, PHE106D, PHE127B, PHE127D, PHE137B, PHE137D, PRO105B, PRO105D, PRO128B, PRO128D, SER147B, SER147D, SER56B, SER56D, SER66B, SER66D, THR103B, THR103D, THR129B, THR129D, THR144B, THR144D, THR193B, THR193D, TYR59B, TYR59D, TYR73B, TYR73D, VAL108B, VAL108D, VAL130B, VAL130D
• B-E: ALA84B, ARG114E, ARG85B, ASN75E, ASP104E, ASP82B, GLU118B, GLU86B, GLY120B, GLY37B, ILE119B, LEU88B, PHE106E, PRO105E, PRO89B, THR111E, VAL108E, VAL87B, VAL90B
• C-D: ALA237C, ALA237D, ALA242C, ALA242D, ALA258C, ALA258D, ALA25C, ALA25D, ALA266C, ALA266D, ALA269C, ALA269D, ALA276C, ALA276D, ALA279C, ALA279D, ALA34C, ALA34D, ALA40C, ALA40D, ALA45C, ALA45D, ALA62C, ALA62D, ALA84C, ALA84D, ARG243C, ARG243D, ARG263C, ARG263D, ARG271C, ARG271D, ARG281C, ARG281D, ARG282C, ARG282D, ARG58C, ARG58D, ARG60C, ARG60D, ARG64C, ARG64D, ARG85C, ARG85D, ARG92C, ASN238C, ASN238D, ASP241C, ASP241D, ASP247C, ASP247D, ASP47C, ASP47D, ASP49C, ASP49D, CYS249C, CYS249D, CYS252C, CYS252D, GLN250C, GLN250D, GLN273C, GLN273D, GLN283C, GLN283D, GLU240C, GLU240D, GLU262C, GLU262D, GLU267C, GLU267D, GLU268C, GLU268D, GLU27C, GLU27D, GLU43C, GLU43D, GLU44C, GLU44D, GLU86C, GLU86D, GLY251C, GLY251D, GLY254C, GLY254D, GLY257C, GLY257D, GLY26C, GLY26D, GLY31C, GLY31D, GLY32C, GLY32D, GLY33C, GLY33D, GLY35C, GLY35D, GLY37C, GLY37D, GLY46C, GLY46D, GLY57C, GLY57D, GLY63C, GLY63D, GLY65C, GLY65D, GLY74C, GLY74D, HIS253C, HIS253D, ILE217C, ILE229C, ILE229D, ILE236C, ILE236D, ILE23C, ILE23D, ILE245C, ILE245D, ILE270C, ILE270D, ILE280C, ILE280D, ILE29C, ILE29D, ILE30C, ILE30D, ILE48C, ILE48D, ILE51C, ILE51D, ILE79C, ILE79D, LEU230D, LEU246C, LEU246D, LEU264C, LEU264D, LEU275C, LEU275D, LEU38C, LEU38D, LEU50C, LEU50D, LEU88C, LEU88D, LYS22C, LYS22D, LYS278C, LYS278D, LYS41C, LYS41D, PHE19D, PHE244C, PHE244D, PHE255C, PHE255D, PHE277C, PHE277D, PRO239C, PRO239D, PRO265C, PRO265D, PRO284C, PRO284D, PRO28C, PRO28D, PRO89C, PRO89D, SER231C, SER248C, SER248D, SER259C, SER259D, SER260C, SER260D, SER272C, SER272D, SER39C, SER39D, SER42C, SER42D, THR193C, THR193D, THR274C, THR274D, THR36C, THR36D, THR94C, THR94D, TYR256C, TYR256D, TYR59C, TYR59D, TYR73C, TYR73D, VAL87C, VAL87D, VAL90C, VAL90D, VAL91C, VAL91D
• C-E: ALA84E, ARG114C, ARG85E, ARG92E, ASN75C, ASN77C, ASP104C, ASP82E, GLN150C, GLN78C, GLU118E, GLU86E, GLY120E, GLY37E, ILE119E, LEU88E, LYS117E, PHE106C, PRO105C, PRO89E, SER110C, THR111C, VAL108C, VAL87E, VAL90E
• C-F: ALA62C, ALA62F, ALA68C, ALA68F, ALA72C, ALA72F, ALA76C, ALA76F, ARG138C, ARG138F, ARG201C, ARG263C, ARG263F, ARG58C, ARG58F, ARG60C, ARG60F, ARG64C, ARG64F, ASN101C, ASN101F, ASN140C, ASN140F, ASN55C, ASN55F, ASN75C, ASN75F, ASN77C, ASN77F, ASP104C, ASP104F, ASP134C, ASP134F, GLN139C, GLN139F, GLN150C, GLN150F, GLN78C, GLN78F, GLU142C, GLU142F, GLU143C, GLU143F, GLU151C, GLU151F, GLY102C, GLY102F, GLY131C, GLY131F, GLY135C, GLY135F, GLY145C, GLY145F, GLY191C, GLY191F, GLY203C, GLY203F, GLY234C, GLY63C, GLY63F, GLY65C, GLY65F, GLY69C, GLY69F, GLY74C, GLY74F, HIS189C, ILE133C, ILE133F, ILE79C, ILE79F, LEU132C, LEU132F, LEU136C, LEU136F, LEU141C, LEU141F, LEU192C, LEU192F, LEU67C, LEU67F, LEU70C, LEU70F, LEU71C, LEU71F, LYS204C, LYS204F, PHE106C, PHE106F, PHE127C, PHE127F, PHE137C, PHE137F, PRO105C, PRO105F, PRO128C, PRO128F, SER147C, SER147F, SER202C, SER56C, SER56F, SER66C, SER66F, THR103C, THR103F, THR129C, THR129F, THR144C, THR144F, THR193C, THR193F, TYR59C, TYR59F, TYR73C, TYR73F, VAL108C, VAL108F, VAL130C, VAL130F
• D-F: ALA84D, ARG114F, ARG85D, ASN75F, ASP104F, ASP82D, GLN78F, GLU118D, GLU86D, GLY120D, GLY37D, ILE119D, LEU88D, LYS117D, PHE106F, PRO105F, PRO89D, SER110F, THR111F, VAL108F, VAL87D, VAL90D
• E-F: ALA237E, ALA237F, ALA242E, ALA242F, ALA258E, ALA258F, ALA25E, ALA25F, ALA266E, ALA266F, ALA269E, ALA269F, ALA276E, ALA276F, ALA279E, ALA279F, ALA34E, ALA34F, ALA40E, ALA40F, ALA45E, ALA45F, ALA62E, ALA62F, ALA84E, ALA84F, ARG18F, ARG243E, ARG243F, ARG263E, ARG263F, ARG271E, ARG271F, ARG281E, ARG281F, ARG282E, ARG282F, ARG58E, ARG58F, ARG60E, ARG60F, ARG64E, ARG64F, ARG85E, ARG85F, ARG92E, ASN238E, ASN238F, ASP241E, ASP241F, ASP247E, ASP247F, ASP47E, ASP47F, ASP49E, ASP49F, CYS249E, CYS249F, CYS252E, CYS252F, GLN250E, GLN250F, GLN273E, GLN273F, GLN283E, GLN283F, GLU240E, GLU240F, GLU262E, GLU262F, GLU267E, GLU267F, GLU268E, GLU268F, GLU27E, GLU27F, GLU43E, GLU43F, GLU44E, GLU44F, GLU86E, GLU86F, GLY251E, GLY251F, GLY254E, GLY254F, GLY257E, GLY257F, GLY26E, GLY26F, GLY31E, GLY31F, GLY32E, GLY32F, GLY33E, GLY33F, GLY35E, GLY35F, GLY37E, GLY37F, GLY46E, GLY46F, GLY57E, GLY57F, GLY63E, GLY63F, GLY65E, GLY65F, GLY74E, GLY74F, HIS253E, HIS253F, ILE236E, ILE236F, ILE23E, ILE245E, ILE245F, ILE270E, ILE270F, ILE280E, ILE280F, ILE29E, ILE29F, ILE30E, ILE30F, ILE48E, ILE48F, ILE51E, ILE51F, ILE79E, ILE79F, LEU246E, LEU246F, LEU264E, LEU264F, LEU275E, LEU275F, LEU38E, LEU38F, LEU50E, LEU50F, LEU88E, LEU88F, LYS22E, LYS22F, LYS278E, LYS278F, LYS41E, LYS41F, PHE19E, PHE19F, PHE244E, PHE244F, PHE255E, PHE255F, PHE277E, PHE277F, PRO239E, PRO239F, PRO265E, PRO265F, PRO28E, PRO28F, PRO89E, PRO89F, SER231E, SER231F, SER248E, SER248F, SER259E, SER259F, SER260E, SER260F, SER272E, SER272F, SER39E, SER39F, SER42E, SER42F, THR193E, THR274E, THR274F, THR36E, THR36F, THR94E, THR94F, TYR256E, TYR256F, TYR59E, TYR59F, TYR73E, TYR73F, VAL87E, VAL87F, VAL90E, VAL90F, VAL91E, VAL91F