2NVV

crystal structure of the putative acetyl-coa hydrolase/transferase pg1013 from porphyromonas gingivalis, northeast structural genomics target pgr16.

• Total interactions analyzed: 15
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 297
  • Norm. En. per Res.: -3.0069
• Hub Node: B(2)

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	-61.2488	-13.6173	-818.188	-893.054	297	49	4	32663	15	116	123
B-D	0.0	0.0	-3.7435	-3.7435	13	1	0	291	0	10	12
B-F	0.0	1.1022	-0.0129	1.0892	4	0	0	13	0	6	6
C-D	-59.0756	-11.0359	-787.679	-857.7905	299	43	4	32635	16	115	124
E-F	-65.038	-7.7837	-807.272	-880.0937	300	45	4	32672	15	114	123

Interface residues

• A-B: ALA109A, ALA109B, ALA181A, ALA181B, ALA245A, ALA245B, ALA410A, ALA410B, ALA477A, ALA477B, ALA483A, ALA483B, ARG113A, ARG113B, ARG182A, ARG182B, ARG183A, ARG183B, ARG247A, ARG247B, ARG343A, ARG343B, ARG344A, ARG344B, ARG371A, ARG371B, ARG384A, ARG384B, ARG432A, ARG432B, ARG437A, ARG437B, ARG439A, ARG439B, ARG80A, ARG80B, ARG90A, ARG90B, ASN337A, ASN337B, ASN338A, ASN338B, ASN361A, ASN361B, ASN363A, ASN363B, ASN385A, ASN385B, ASN435A, ASN435B, ASN471A, ASN471B, ASN91A, ASN91B, ASN94A, ASN94B, ASN95A, ASN95B, ASP102A, ASP102B, ASP111A, ASP111B, ASP178A, ASP178B, ASP192A, ASP192B, ASP251A, ASP251B, ASP381A, ASP381B, ASP413A, ASP413B, ASP430A, ASP430B, ASP473A, ASP473B, CYS474A, CYS474B, CYS475A, CYS475B, GLN110A, GLN110B, GLN333A, GLN333B, GLN467A, GLN467B, GLN470A, GLN470B, GLN480A, GLN480B, GLN84A, GLN84B, GLU184A, GLU184B, GLU242A, GLU242B, GLU334A, GLU334B, GLU340A, GLU340B, GLU355A, GLU355B, GLU416A, GLU416B, GLU438A, GLU438B, GLU481A, GLU481B, GLY115A, GLY115B, GLY118A, GLY118B, GLY246A, GLY246B, GLY346A, GLY346B, GLY369A, GLY369B, GLY375A, GLY375B, GLY377A, GLY377B, GLY378A, GLY378B, GLY380A, GLY380B, GLY433A, GLY433B, GLY466A, GLY466B, GLY96A, GLY96B, HIS104A, HIS104B, HIS366A, HIS366B, HIS411A, HIS411B, HIS412A, HIS412B, HIS414A, HIS414B, HIS417A, HIS417B, HIS479A, HIS479B, ILE248A, ILE248B, ILE341A, ILE341B, ILE348A, ILE348B, ILE376A, ILE376B, ILE93A, ILE93B, LEU103A, LEU103B, LEU105A, LEU105B, LEU108A, LEU108B, LEU177A, LEU177B, LEU185A, LEU185B, LEU253A, LEU253B, LEU345A, LEU345B, LEU431A, LEU431B, LEU472A, LEU472B, LEU482A, LEU482B, LEU92A, LEU92B, LYS250A, LYS250B, LYS420A, LYS420B, LYS434A, LYS434B, LYS465A, LYS465B, LYS484A, LYS484B, LYS78A, LYS78B, PHE101A, PHE101B, PHE116A, PHE116B, PHE252A, PHE252B, PHE359A, PHE359B, PHE382A, PHE382B, PHE476A, PHE476B, PHE478A, PHE478B, PHE58A, PHE58B, PHE79A, PHE79B, PRO176A, PRO176B, PRO179A, PRO179B, PRO180A, PRO180B, PRO186A, PRO186B, PRO190A, PRO190B, PRO249A, PRO249B, PRO254A, PRO254B, PRO339A, PRO339B, PRO436A, PRO436B, PRO469A, PRO469B, PRO82A, PRO82B, SER106A, SER106B, SER364A, SER364B, SER368A, SER368B, SER379A, SER379B, SER386A, SER386B, SER389A, SER389B, SER415A, SER415B, SER418A, SER418B, SER99A, SER99B, THR107A, THR107B, THR189A, THR189B, THR365A, THR365B, THR370A, THR370B, THR383A, THR383B, THR468A, THR468B, THR81A, THR81B, THR98A, THR98B, TYR100A, TYR100B, TYR114A, TYR114B, TYR117A, TYR117B, TYR188A, TYR188B, TYR335A, TYR335B, TYR387A, TYR387B, TYR459A, TYR459B, TYR496A, TYR496B, VAL187A, VAL187B, VAL342A, VAL342B, VAL347A, VAL347B, VAL367A, VAL367B, VAL388A, VAL388B, VAL406A, VAL409A, VAL409B, VAL419A, VAL419B, VAL464A, VAL464B
• B-D: ARG311B, ARG311D, ASN216B, ASN216D, ASP217B, GLN315B, GLN315D, GLU218B, LYS162B, LYS162D, PRO215B, PRO215D, SER213D
• B-F: ALA2F, ASP399B, GLU132F, LYS401B
• C-D: ALA109C, ALA109D, ALA181C, ALA181D, ALA245C, ALA245D, ALA410C, ALA410D, ALA477C, ALA477D, ALA483C, ALA483D, ARG113C, ARG113D, ARG182C, ARG182D, ARG183C, ARG183D, ARG247C, ARG247D, ARG343C, ARG343D, ARG344C, ARG344D, ARG371C, ARG371D, ARG384C, ARG384D, ARG432C, ARG432D, ARG437C, ARG437D, ARG439C, ARG439D, ARG80C, ARG80D, ARG90C, ARG90D, ASN337C, ASN337D, ASN338C, ASN338D, ASN361C, ASN361D, ASN363C, ASN363D, ASN385C, ASN385D, ASN435C, ASN435D, ASN471C, ASN471D, ASN91C, ASN91D, ASN94C, ASN94D, ASN95C, ASN95D, ASP102C, ASP102D, ASP111C, ASP111D, ASP178C, ASP178D, ASP192C, ASP192D, ASP251C, ASP251D, ASP381C, ASP381D, ASP413C, ASP413D, ASP430C, ASP430D, ASP473C, ASP473D, CYS474C, CYS474D, CYS475C, CYS475D, GLN110C, GLN110D, GLN333C, GLN333D, GLN467C, GLN467D, GLN470C, GLN470D, GLN480C, GLN480D, GLN84C, GLN84D, GLU184C, GLU184D, GLU242C, GLU242D, GLU334C, GLU334D, GLU340C, GLU340D, GLU355C, GLU355D, GLU416C, GLU416D, GLU438C, GLU438D, GLU481C, GLU481D, GLY115C, GLY115D, GLY118C, GLY118D, GLY246C, GLY246D, GLY346C, GLY346D, GLY369C, GLY369D, GLY375C, GLY375D, GLY377C, GLY377D, GLY378C, GLY378D, GLY380C, GLY380D, GLY433C, GLY433D, GLY466C, GLY466D, GLY96C, GLY96D, HIS104C, HIS104D, HIS366C, HIS366D, HIS411C, HIS411D, HIS412C, HIS412D, HIS414C, HIS414D, HIS417C, HIS417D, HIS479C, HIS479D, ILE248C, ILE248D, ILE341C, ILE341D, ILE348C, ILE348D, ILE376C, ILE376D, ILE93C, ILE93D, LEU103C, LEU103D, LEU105C, LEU105D, LEU108C, LEU108D, LEU177C, LEU177D, LEU185C, LEU185D, LEU253C, LEU253D, LEU345C, LEU345D, LEU431C, LEU431D, LEU472C, LEU472D, LEU482C, LEU482D, LEU89D, LEU92C, LEU92D, LYS250C, LYS250D, LYS420C, LYS420D, LYS434C, LYS434D, LYS465C, LYS465D, LYS484C, LYS484D, LYS78C, LYS78D, PHE101C, PHE101D, PHE116C, PHE116D, PHE252C, PHE252D, PHE359C, PHE359D, PHE382C, PHE382D, PHE476C, PHE476D, PHE478C, PHE478D, PHE58C, PHE58D, PHE79C, PHE79D, PRO176C, PRO176D, PRO179C, PRO179D, PRO180C, PRO180D, PRO186C, PRO186D, PRO190C, PRO190D, PRO249C, PRO249D, PRO254C, PRO254D, PRO339C, PRO339D, PRO436C, PRO436D, PRO469C, PRO469D, PRO82C, PRO82D, SER106C, SER106D, SER364C, SER364D, SER368C, SER368D, SER379C, SER379D, SER386C, SER386D, SER389C, SER389D, SER415C, SER415D, SER418C, SER418D, SER97C, SER97D, SER99C, SER99D, THR107C, THR107D, THR189C, THR189D, THR365C, THR365D, THR370C, THR370D, THR383C, THR383D, THR468C, THR468D, THR81C, THR81D, THR98C, THR98D, TYR100C, TYR100D, TYR114C, TYR114D, TYR117C, TYR117D, TYR188C, TYR188D, TYR335C, TYR335D, TYR387C, TYR387D, TYR459C, TYR459D, TYR496C, TYR496D, VAL187C, VAL187D, VAL342C, VAL342D, VAL347C, VAL347D, VAL367C, VAL367D, VAL388C, VAL388D, VAL409C, VAL409D, VAL419C, VAL419D, VAL464C, VAL464D
• E-F: ALA109E, ALA109F, ALA181E, ALA181F, ALA245E, ALA245F, ALA410E, ALA410F, ALA477E, ALA477F, ALA483E, ALA483F, ARG113E, ARG113F, ARG182E, ARG182F, ARG183E, ARG183F, ARG247E, ARG247F, ARG343E, ARG343F, ARG344E, ARG344F, ARG371E, ARG371F, ARG384E, ARG384F, ARG432E, ARG432F, ARG437E, ARG437F, ARG439E, ARG439F, ARG80E, ARG80F, ARG90E, ARG90F, ASN337E, ASN337F, ASN338E, ASN338F, ASN361E, ASN361F, ASN363E, ASN363F, ASN385E, ASN385F, ASN435E, ASN435F, ASN471E, ASN471F, ASN91E, ASN91F, ASN94E, ASN94F, ASN95E, ASN95F, ASP102E, ASP102F, ASP111E, ASP111F, ASP178E, ASP178F, ASP192E, ASP192F, ASP251E, ASP251F, ASP381E, ASP381F, ASP413E, ASP413F, ASP430E, ASP430F, ASP473E, ASP473F, CYS474E, CYS474F, CYS475E, CYS475F, GLN110E, GLN110F, GLN333E, GLN333F, GLN467E, GLN467F, GLN470E, GLN470F, GLN480E, GLN480F, GLN84E, GLN84F, GLU184E, GLU184F, GLU242E, GLU242F, GLU334E, GLU334F, GLU340E, GLU340F, GLU355E, GLU355F, GLU416E, GLU416F, GLU438E, GLU438F, GLU481E, GLU481F, GLY115E, GLY115F, GLY118E, GLY118F, GLY246E, GLY246F, GLY346E, GLY346F, GLY369E, GLY369F, GLY375E, GLY375F, GLY377E, GLY377F, GLY378E, GLY378F, GLY380E, GLY380F, GLY433E, GLY433F, GLY466E, GLY466F, GLY96E, GLY96F, HIS104E, HIS104F, HIS366E, HIS366F, HIS411E, HIS411F, HIS412E, HIS412F, HIS414E, HIS414F, HIS417E, HIS417F, HIS479E, HIS479F, ILE248E, ILE248F, ILE341E, ILE341F, ILE348E, ILE348F, ILE376E, ILE376F, ILE93E, ILE93F, LEU103E, LEU103F, LEU105E, LEU105F, LEU108E, LEU108F, LEU177E, LEU177F, LEU185E, LEU185F, LEU253E, LEU253F, LEU345E, LEU345F, LEU431E, LEU431F, LEU472E, LEU472F, LEU482E, LEU482F, LEU89F, LEU92E, LEU92F, LYS250E, LYS250F, LYS420E, LYS420F, LYS434E, LYS434F, LYS465E, LYS465F, LYS484E, LYS484F, LYS78E, LYS78F, PHE101E, PHE101F, PHE116E, PHE116F, PHE252E, PHE252F, PHE359E, PHE359F, PHE382E, PHE382F, PHE476E, PHE476F, PHE478E, PHE478F, PHE58E, PHE58F, PHE79E, PHE79F, PRO176E, PRO176F, PRO179E, PRO179F, PRO180E, PRO180F, PRO186E, PRO186F, PRO190E, PRO190F, PRO249E, PRO249F, PRO254E, PRO254F, PRO339E, PRO339F, PRO436E, PRO436F, PRO469E, PRO469F, PRO82E, PRO82F, SER106E, SER106F, SER364E, SER364F, SER368E, SER368F, SER379E, SER379F, SER386E, SER386F, SER389E, SER389F, SER415E, SER415F, SER418E, SER418F, SER97F, SER99E, SER99F, THR107E, THR107F, THR189E, THR189F, THR365E, THR365F, THR370E, THR370F, THR383E, THR383F, THR468E, THR468F, THR81E, THR81F, THR98E, THR98F, TYR100E, TYR100F, TYR114E, TYR114F, TYR117E, TYR117F, TYR188E, TYR188F, TYR335E, TYR335F, TYR387E, TYR387F, TYR459E, TYR459F, TYR496E, TYR496F, VAL187E, VAL187F, VAL342E, VAL342F, VAL347E, VAL347F, VAL367E, VAL367F, VAL388E, VAL388F, VAL406E, VAL406F, VAL409E, VAL409F, VAL419E, VAL419F, VAL464E, VAL464F