3B8L

crystal structure of a putative aromatic ring hydroxylase (saro_3538) from novosphingobium aromaticivorans dsm at 1.75 a resolution

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 67
  • Norm. En. per Res.: -3.3618
• 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	-31.4361	-21.5619	-155.099	-208.097	65	3	6	6066	4	9	11
A-C	-38.8012	-22.5015	-162.074	-223.3767	67	4	6	6170	4	9	11
A-E	0.0	14.0415	-53.7976	-39.7561	39	2	0	2591	0	5	5
A-F	0.0	0.0	-1.1074	-1.1074	12	0	0	184	0	4	5
B-C	-23.724	-25.3131	-157.429	-206.4661	65	2	6	6108	4	10	11
B-D	0.0	0.0	-1.1389	-1.1389	12	0	0	191	0	4	5
B-F	0.0	14.4382	-71.2023	-56.7641	42	1	0	3048	0	5	5
C-D	0.0	14.9064	-52.9797	-38.0733	38	1	0	2571	0	5	5
C-E	0.0	0.0	-1.4631	-1.4631	12	0	0	210	0	4	5
D-E	-29.3504	-21.1401	-161.422	-211.9125	66	2	6	6237	4	10	11
D-F	-25.5807	-22.7745	-161.773	-210.1282	68	3	5	6291	4	10	11
E-F	-41.9257	-25.5977	-157.718	-225.2414	67	6	6	6234	4	10	11

Interface residues

• A-B: ALA10A, ALA17A, ALA19A, ALA21A, ALA72A, ALA79B, ALA92B, ARG111B, ARG8A, ARG8B, ARG91B, ASN109B, ASN77A, ASN77B, ASP13A, ASP23A, ASP7A, GLN12A, GLN12B, GLU6A, GLU6B, GLY110B, GLY96A, GLY96B, GLY98A, HIS20A, HIS70A, HIS71A, HIS73A, ILE11A, ILE16A, ILE5A, ILE5B, ILE95A, ILE95B, LEU133B, LEU75A, LEU75B, LEU9A, LEU9B, PHE113B, PHE132B, PHE78A, PHE78B, PRO135B, PRO4A, PRO4B, SER69A, THR107B, THR24A, THR76A, THR76B, THR81B, TYR112A, TYR18A, TYR74A, TYR74B, TYR93B, VAL108B, VAL22A, VAL25A, VAL80B, VAL94A, VAL94B, VAL99A
• A-C: ALA10C, ALA17C, ALA19C, ALA21C, ALA72C, ALA79A, ALA92A, ARG111A, ARG8A, ARG8C, ARG91A, ASN109A, ASN77A, ASN77C, ASP13C, ASP23C, ASP7C, CYS3A, GLN12A, GLN12C, GLU6A, GLU6C, GLY110A, GLY96A, GLY96C, GLY98C, HIS20C, HIS70C, HIS71C, HIS73C, ILE11C, ILE16C, ILE5A, ILE5C, ILE95A, ILE95C, LEU133A, LEU14C, LEU75A, LEU75C, LEU9A, LEU9C, PHE113A, PHE132A, PHE78A, PHE78C, PRO135A, PRO4A, PRO4C, SER69C, THR107A, THR24C, THR76A, THR76C, THR81A, TYR112C, TYR18C, TYR74A, TYR74C, TYR93A, VAL108A, VAL22C, VAL25C, VAL80A, VAL94A, VAL94C, VAL99C
• A-E: ALA105A, ALA105E, ARG104A, ARG104E, ASP102A, ASP102E, ASP141A, ASP141E, GLY100A, GLY100E, GLY103A, GLY103E, GLY138A, GLY138E, GLY47A, GLY47E, ILE46E, LEU136A, LEU136E, LEU140A, LEU140E, LYS101A, LYS101E, LYS144A, LYS144E, PHE132A, PHE132E, PRO135A, PRO135E, SER137A, SER137E, THR107A, THR107E, THR139A, THR139E, VAL106A, VAL106E, VAL99A, VAL99E
• A-F: ASP102A, ASP102F, GLY103A, GLY103F, HIS70A, HIS70F, LYS101A, LYS101F, SER69A, SER69F, VAL99A, VAL99F
• B-C: ALA10B, ALA17B, ALA19B, ALA21B, ALA72B, ALA79C, ALA92C, ARG111C, ARG8B, ARG8C, ARG91C, ASN109B, ASN109C, ASN77B, ASN77C, ASP13B, ASP23B, ASP7B, GLN12B, GLN12C, GLU6B, GLU6C, GLY110C, GLY96B, GLY96C, GLY98B, HIS20B, HIS70B, HIS71B, HIS73B, ILE16B, ILE5B, ILE5C, ILE95B, ILE95C, LEU133C, LEU75B, LEU75C, LEU9B, LEU9C, PHE113C, PHE132C, PHE78B, PHE78C, PRO135C, PRO4B, PRO4C, SER69B, THR107C, THR24B, THR76B, THR76C, THR81C, TYR112B, TYR18B, TYR74B, TYR74C, TYR93C, VAL108C, VAL22B, VAL25B, VAL80C, VAL94B, VAL94C, VAL99B
• B-D: ASP102B, ASP102D, GLY103B, GLY103D, HIS70B, HIS70D, LYS101B, LYS101D, SER69B, SER69D, VAL99B, VAL99D
• B-F: ALA105B, ALA105F, ARG104B, ARG104F, ASN142B, ASP102B, ASP102F, ASP141B, ASP141F, GLY100B, GLY100F, GLY103B, GLY103F, GLY138B, GLY138F, GLY45B, GLY47B, GLY47F, ILE46B, LEU136B, LEU136F, LEU140B, LEU140F, LYS101B, LYS101F, LYS144B, LYS144F, PHE132B, PHE132F, PRO135B, PRO135F, SER137B, SER137F, THR107B, THR107F, THR139B, THR139F, VAL106B, VAL106F, VAL108B, VAL99B, VAL99F
• C-D: ALA105C, ALA105D, ARG104C, ARG104D, ASP102C, ASP102D, ASP141C, ASP141D, GLY100C, GLY100D, GLY103C, GLY103D, GLY138C, GLY138D, GLY47C, ILE46C, LEU136C, LEU136D, LEU140C, LEU140D, LYS101C, LYS101D, LYS144C, LYS144D, PHE132C, PHE132D, PRO135C, PRO135D, SER137C, SER137D, THR107C, THR107D, THR139C, THR139D, VAL106C, VAL106D, VAL99C, VAL99D
• C-E: ASP102C, ASP102E, GLY103C, GLY103E, HIS70C, HIS70E, LYS101C, LYS101E, SER69C, SER69E, VAL99C, VAL99E
• D-E: ALA10E, ALA17E, ALA19E, ALA21E, ALA72E, ALA79D, ALA92D, ARG111D, ARG8D, ARG8E, ARG91D, ASN109D, ASN77D, ASN77E, ASP13E, ASP23E, ASP7E, GLN12D, GLN12E, GLU6D, GLU6E, GLY110D, GLY96D, GLY96E, GLY98E, HIS20E, HIS70E, HIS71E, HIS73E, ILE11E, ILE16E, ILE5D, ILE5E, ILE95D, ILE95E, LEU133D, LEU14E, LEU75D, LEU75E, LEU9D, LEU9E, PHE113D, PHE132D, PHE78D, PHE78E, PRO135D, PRO4D, PRO4E, SER69E, THR107D, THR24E, THR76D, THR76E, THR81D, TYR112E, TYR18E, TYR74D, TYR74E, TYR93D, VAL108D, VAL22E, VAL25E, VAL80D, VAL94D, VAL94E, VAL99E
• D-F: ALA10D, ALA17D, ALA19D, ALA21D, ALA72D, ALA79F, ALA92F, ARG111F, ARG8D, ARG8F, ARG91F, ASN109D, ASN109F, ASN77D, ASN77F, ASP13D, ASP23D, ASP7D, CYS3F, GLN12D, GLN12F, GLU6D, GLU6F, GLY110F, GLY96D, GLY96F, GLY98D, HIS20D, HIS70D, HIS71D, HIS73D, ILE11D, ILE16D, ILE5D, ILE5F, ILE95D, ILE95F, LEU133F, LEU75D, LEU75F, LEU9D, LEU9F, PHE113F, PHE132F, PHE78D, PHE78F, PRO135F, PRO4D, PRO4F, SER69D, THR107F, THR24D, THR76D, THR76F, THR81F, TYR112D, TYR18D, TYR74D, TYR74F, TYR93D, TYR93F, VAL108F, VAL22D, VAL25D, VAL80F, VAL94D, VAL94F, VAL99D
• E-F: ALA10F, ALA17F, ALA19F, ALA21F, ALA72F, ALA79E, ALA92E, ARG111E, ARG8E, ARG8F, ARG91E, ASN109E, ASN109F, ASN77E, ASN77F, ASP13F, ASP23F, ASP7F, GLN12E, GLN12F, GLU6E, GLU6F, GLY110E, GLY96E, GLY96F, GLY98F, HIS20F, HIS70F, HIS71F, HIS73F, ILE16F, ILE5E, ILE5F, ILE95E, ILE95F, LEU133E, LEU14F, LEU75E, LEU75F, LEU9E, LEU9F, PHE113E, PHE132E, PHE78E, PHE78F, PRO135E, PRO4E, PRO4F, SER69F, THR107E, THR107F, THR24F, THR76E, THR76F, THR81E, TYR112F, TYR18F, TYR74E, TYR74F, TYR93E, VAL108E, VAL22F, VAL25F, VAL80E, VAL94E, VAL94F, VAL99F