3BL5

crystal structure of quec from bacillus subtilis: an enzyme involved in preq1 biosynthesis

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 145
  • Norm. En. per Res.: -3.4451
• 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	0.0	-7.2208	-7.2208	10	0	1	610	0	2	3
A-C	-12.6893	-0.7474	-106.677	-120.1137	69	3	0	5339	3	34	29
A-D	-7.7278	-23.5547	-468.259	-499.5415	145	46	17	20064	0	8	13
B-C	-15.7278	-25.1736	-434.325	-475.2264	144	51	17	19887	0	8	13
B-D	-13.0553	-0.7474	-104.303	-118.1057	67	3	0	5302	2	33	31
B-E	-6.3713	-7.2861	-53.4191	-67.0766	32	5	0	1827	0	13	20
C-D	0.0	0.0	-7.1021	-7.1021	15	0	1	623	0	4	2
E-F	-26.7129	-25.5691	-116.093	-168.375	68	11	1	5614	6	44	32

Interface residues

• A-B: ASN145A, ASN145B, LEU146A, LEU146B, SER139A, SER139B, THR143A, THR143B, VAL142A, VAL142B
• A-C: ARG115A, ARG115C, ARG133A, ARG133C, ASN141A, ASN141C, ASN145A, ASN145C, ASP134A, ASP134C, CYS140A, CYS140C, GLU123A, GLU123C, GLU135A, GLU135C, GLU149A, GLU149C, GLU165A, GLU165C, GLU26A, GLU26C, GLU4A, GLU4C, HIS116A, HIS116C, HIS155A, HIS155C, ILE117A, ILE154A, ILE154C, LEU146A, LEU146C, LEU161A, LEU161C, LYS138A, LYS138C, LYS150A, LYS150C, LYS3A, LYS3C, MET159A, MET159C, PHE136A, PHE136C, PHE152A, PHE152C, PHE27A, PHE27C, PRO151A, PRO151C, SER139A, SER139C, THR143A, THR143C, THR156A, THR156C, TRP160A, TRP160C, TRP22A, TRP22C, VAL137A, VAL137C, VAL142A, VAL142C, VAL144A, VAL144C, VAL153A, VAL153C
• A-D: ALA105A, ALA105D, ALA109A, ALA109D, ALA147A, ALA147D, ALA71A, ALA71D, ALA74A, ALA74D, ARG133A, ARG133D, ARG40A, ARG40D, ARG97A, ARG97D, ASN141A, ASN141D, ASN145A, ASN145D, ASN38A, ASN38D, ASN68A, ASN68D, ASN73A, ASN73D, ASN98A, ASN98D, ASP131A, ASP131D, ASP134A, ASP134D, ASP63A, ASP63D, CYS132A, CYS132D, CYS140A, CYS140D, GLN111A, GLN111D, GLN69A, GLN69D, GLU135A, GLU135D, GLU149A, GLU149D, GLY113A, GLY113D, GLY128A, GLY128D, GLY96A, GLY96D, HIS36A, HIS36D, HIS60A, HIS60D, ILE107A, ILE107D, ILE112A, ILE112D, ILE154A, ILE154D, LEU102A, LEU102D, LEU108A, LEU108D, LEU146A, LEU146D, LEU61A, LEU61D, LEU62A, LEU62D, LEU66A, LEU66D, LEU67A, LEU67D, LEU70A, LEU70D, LEU75A, LEU75D, LEU99A, LEU99D, LYS138A, LYS138D, LYS150A, LYS150D, LYS58A, MET148A, MET148D, MET64A, MET64D, PHE101A, PHE101D, PHE104A, PHE104D, PHE136A, PHE136D, PHE152A, PHE152D, PHE35A, PHE35D, PHE93A, PHE93D, PRO130A, PRO130D, PRO72A, PRO72D, PRO95A, PRO95D, SER103A, SER103D, SER106A, SER106D, SER139A, SER139D, SER65A, SER65D, SER91A, SER91D, THR143A, THR143D, THR34A, THR34D, THR76A, THR76D, THR92A, THR92D, TYR110A, TYR110D, TYR129A, TYR129D, TYR37A, TYR37D, VAL100A, VAL100D, VAL137A, VAL137D, VAL142A, VAL142D, VAL144A, VAL144D, VAL33A, VAL33D, VAL94A, VAL94D
• B-C: ALA105B, ALA105C, ALA109B, ALA109C, ALA147B, ALA147C, ALA71B, ALA71C, ALA74B, ALA74C, ARG133B, ARG133C, ARG40B, ARG40C, ARG97B, ARG97C, ASN141B, ASN141C, ASN145B, ASN145C, ASN38B, ASN38C, ASN68B, ASN68C, ASN73B, ASN73C, ASN98B, ASN98C, ASP131B, ASP131C, ASP134B, ASP134C, ASP63B, ASP63C, CYS132B, CYS132C, CYS140B, CYS140C, GLN111B, GLN111C, GLN69B, GLN69C, GLU135B, GLU135C, GLU149B, GLU149C, GLY113B, GLY113C, GLY128B, GLY128C, GLY96B, GLY96C, HIS36B, HIS36C, HIS60B, HIS60C, ILE107B, ILE107C, ILE112B, ILE112C, ILE154B, ILE154C, LEU102B, LEU102C, LEU108B, LEU108C, LEU146B, LEU146C, LEU61B, LEU61C, LEU62B, LEU62C, LEU66B, LEU66C, LEU67B, LEU67C, LEU70B, LEU70C, LEU75B, LEU75C, LEU99B, LEU99C, LYS138B, LYS138C, LYS150B, LYS150C, MET148B, MET148C, MET64B, MET64C, PHE101B, PHE101C, PHE104B, PHE104C, PHE136B, PHE136C, PHE152B, PHE152C, PHE35B, PHE35C, PHE93B, PHE93C, PRO130B, PRO130C, PRO72B, PRO72C, PRO95B, PRO95C, SER103B, SER103C, SER106B, SER106C, SER139B, SER139C, SER65B, SER65C, SER91B, SER91C, THR143B, THR143C, THR34B, THR34C, THR76B, THR76C, THR92B, THR92C, TYR110B, TYR110C, TYR129B, TYR129C, TYR37B, TYR37C, VAL100B, VAL100C, VAL137B, VAL137C, VAL142B, VAL142C, VAL144B, VAL144C, VAL33B, VAL33C, VAL94B, VAL94C
• B-D: ARG115B, ARG115D, ARG133B, ARG133D, ASN141B, ASN141D, ASN145B, ASN145D, ASP134B, ASP134D, CYS140B, CYS140D, GLU123B, GLU123D, GLU135B, GLU135D, GLU149B, GLU149D, GLU165B, GLU165D, GLU26B, GLU26D, GLU4B, GLU4D, HIS116B, HIS116D, HIS155B, HIS155D, ILE154B, ILE154D, LEU146B, LEU146D, LEU161D, LYS138B, LYS138D, LYS150B, LYS150D, LYS3B, LYS3D, MET159B, MET159D, PHE136B, PHE136D, PHE152B, PHE152D, PHE27B, PHE27D, PRO151B, PRO151D, SER139B, SER139D, THR143B, THR143D, THR156B, THR156D, TRP160B, TRP160D, TRP22B, TRP22D, VAL137B, VAL137D, VAL142B, VAL142D, VAL144B, VAL144D, VAL153B, VAL153D
• B-E: ALA175B, ALA175E, ALA192B, ALA192E, ASN181B, ASN181E, ASN182B, ASN182E, ASP171B, ASP171E, ASP177B, ASP177E, GLY174B, GLY174E, LEU176B, LEU176E, LYS180B, LYS180E, LYS54B, LYS54E, MET212B, MET212E, PHE178B, PHE178E, TRP167B, TRP167E, TYR208B, TYR208E, TYR211B, TYR211E, VAL179B, VAL179E
• C-D: ARG133C, ARG133D, ASN141D, ASN145C, ASN145D, GLU135C, GLU135D, LEU146C, LEU146D, SER139C, SER139D, THR143C, THR143D, VAL142C, VAL142D
• E-F: ARG115E, ARG115F, ARG133E, ARG133F, ASN141E, ASN141F, ASN145E, ASN145F, ASP125F, ASP134E, ASP134F, CYS140E, CYS140F, GLU123E, GLU123F, GLU135E, GLU135F, GLU149E, GLU149F, GLU26E, GLU26F, GLU4E, GLU4F, HIS116E, HIS116F, HIS155E, HIS155F, ILE154E, ILE154F, LEU146E, LEU146F, LEU161E, LEU161F, LYS138E, LYS138F, LYS150E, LYS150F, LYS3E, MET159E, MET159F, PHE136E, PHE136F, PHE152E, PHE152F, PHE27E, PHE27F, PRO151E, PRO151F, SER139E, SER139F, THR124E, THR124F, THR143E, THR143F, THR156E, THR156F, TRP160E, TRP160F, TRP22E, TRP22F, VAL137E, VAL137F, VAL142E, VAL142F, VAL144E, VAL144F, VAL153E, VAL153F