3C8V

crystal structure of putative acetyltransferase (yp_390128.1) from desulfovibrio desulfuricans g20 at 2.28 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 101
  • Norm. En. per Res.: -4.0725
• 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	-121.5177	19.0701	-300.53	-402.9775	100	15	8	12493	0	4	9
A-C	0.0	0.0	-1.887	-1.887	7	0	0	126	0	0	0
A-D	-44.6481	-83.5126	-308.281	-436.4418	133	8	3	11579	15	108	79
B-C	-2.7621	-27.8444	-64.7953	-95.4018	76	5	0	3501	2	75	40
B-D	0.0	0.0	-0.8111	-0.8111	7	0	0	104	0	0	0
C-D	-142.1346	18.2951	-287.484	-411.3236	101	14	9	11943	0	4	11

Interface residues

• A-B: ALA44A, ALA50A, ALA50B, ARG10A, ARG10B, ARG463A, ARG463B, ASN448A, ASN448B, ASN452A, ASN452B, ASN474A, ASN474B, ASN475A, ASN475B, ASN60A, ASN60B, ASP459A, ASP459B, ASP461A, ASP461B, ASP51A, ASP51B, ASP52A, ASP52B, GLN3A, GLN3B, GLN455A, GLN455B, GLN458A, GLN458B, GLN472A, GLN472B, GLY460A, GLY460B, GLY464A, GLY464B, GLY47A, HIS55A, HIS57A, HIS57B, HIS76A, HIS76B, ILE453A, ILE453B, ILE454A, ILE454B, ILE469A, ILE469B, ILE471A, ILE471B, LEU470A, LEU470B, LEU48A, LEU48B, LEU7A, LEU7B, LYS59A, LYS59B, PHE449A, PHE449B, PHE451A, PHE451B, PHE45A, PHE45B, PHE56A, PHE56B, PHE58A, PHE58B, PRO456A, PRO456B, PRO462A, PRO462B, PRO467A, PRO467B, PRO473A, PRO473B, PRO53A, PRO53B, SER49A, SER49B, SER61A, SER61B, SER62A, SER62B, THR450A, THR450B, THR468A, THR468B, TYR266B, TYR43A, TYR43B, TYR457A, TYR457B, TYR466A, TYR466B, TYR46A, TYR46B, VAL54A, VAL54B
• A-C: ASN475A, ASN475C, ASP107A, ASP107C, HIS106A, LYS92A, LYS92C
• A-D: ARG10A, ARG10D, ARG139A, ARG139D, ARG14A, ARG14D, ARG20A, ARG20D, ARG31D, ASN140A, ASN140D, ASN16A, ASN16D, ASN172A, ASN172D, ASN18A, ASN18D, ASN60A, ASN60D, ASP107A, ASP107D, ASP115A, ASP115D, ASP129A, ASP129D, ASP13A, ASP13D, ASP25D, ASP99A, ASP99D, CYS98A, CYS98D, GLN94A, GLU131A, GLU131D, GLU134A, GLU134D, GLU135A, GLU135D, GLU155A, GLU155D, GLU185A, GLU185D, GLU9A, GLU9D, GLY100A, GLY100D, GLY156A, GLY156D, GLY184A, GLY184D, GLY188A, GLY188D, GLY201A, GLY201D, GLY27D, GLY93A, HIS106A, HIS106D, HIS128A, HIS128D, HIS171A, HIS171D, HIS21A, HIS21D, HIS76A, HIS76D, HIS95A, HIS95D, ILE103A, ILE103D, ILE11A, ILE11D, ILE12A, ILE12D, ILE170A, ILE170D, LEU105A, LEU105D, LEU153A, LEU153D, LEU19A, LEU19D, LEU6A, LEU6D, LEU75A, LEU75D, LEU7A, LEU7D, LYS101A, LYS101D, LYS114A, LYS114D, LYS23A, LYS59A, LYS59D, LYS92A, LYS92D, PHE24D, PHE96A, PHE96D, PRO104A, PRO104D, PRO130A, PRO130D, PRO133A, PRO133D, SER116A, SER116D, SER132A, SER132D, SER157A, SER157D, SER173A, SER173D, SER77D, THR137A, THR137D, THR141A, THR141D, THR154A, THR154D, THR169A, THR169D, VAL15A, VAL15D, VAL17A, VAL17D, VAL187A, VAL187D, VAL26D, VAL97A, VAL97D
• B-C: ARG10B, ARG10C, ARG139B, ARG139C, ARG14B, ARG14C, ARG20B, ARG20C, ASN140B, ASN140C, ASN172B, ASN172C, ASN18B, ASN18C, ASP107B, ASP107C, ASP115C, ASP129B, ASP129C, ASP13B, ASP13C, CYS98B, GLU131B, GLU131C, GLU134B, GLU134C, GLU135B, GLU135C, GLU155B, GLU155C, GLU185B, GLU185C, GLU9B, GLU9C, GLY156B, GLY156C, HIS106B, HIS106C, HIS128B, HIS128C, HIS171B, HIS171C, HIS21B, HIS21C, HIS76B, HIS76C, ILE103B, ILE103C, ILE11C, LEU105B, LEU105C, LEU19B, LEU19C, LEU6B, LEU6C, LYS101C, LYS114B, LYS114C, LYS92C, PHE96B, PRO104B, PRO104C, PRO130B, PRO130C, PRO133B, PRO133C, SER132B, SER132C, THR169B, THR169C, VAL15B, VAL15C, VAL17B, VAL17C, VAL187B, VAL187C
• B-D: ASN475B, ASN475D, ASP107B, ASP107D, HIS106D, LYS92B, LYS92D
• C-D: ALA50C, ALA50D, ARG463C, ARG463D, ASN448C, ASN448D, ASN452C, ASN452D, ASN474C, ASN474D, ASN475C, ASN475D, ASN60C, ASN60D, ASP459C, ASP459D, ASP461C, ASP461D, ASP51C, ASP51D, ASP52C, ASP52D, GLN3C, GLN3D, GLN455C, GLN455D, GLN458C, GLN458D, GLN472C, GLN472D, GLY460C, GLY460D, GLY464C, GLY464D, GLY47C, GLY47D, HIS250C, HIS55D, HIS57C, HIS57D, HIS76C, HIS76D, ILE453C, ILE453D, ILE454C, ILE454D, ILE469C, ILE469D, ILE471C, ILE471D, LEU470C, LEU470D, LEU48C, LEU48D, LEU6C, LEU7C, LEU7D, LYS59C, LYS59D, PHE246C, PHE246D, PHE449C, PHE449D, PHE451C, PHE451D, PHE45C, PHE45D, PHE56C, PHE56D, PHE58C, PHE58D, PRO456C, PRO456D, PRO462C, PRO462D, PRO467C, PRO467D, PRO473C, PRO473D, PRO53C, PRO53D, SER49C, SER49D, SER61C, SER61D, SER62C, SER62D, THR450C, THR450D, THR468C, THR468D, TYR43C, TYR43D, TYR457C, TYR457D, TYR466C, TYR466D, TYR46C, TYR46D, VAL54C, VAL54D