1ZTC

crystal structure of a putative metallo-beta-lactamase (tm0894) from thermotoga maritima at 2.10 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 130
  • Norm. En. per Res.: -4.9511
• 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	3.8159	-44.7311	-40.9152	18	3	3	2007	0	5	7
A-C	-120.7346	-165.1507	-344.521	-630.4063	129	15	13	14380	14	34	12
A-D	-47.8301	0.3544	-233.038	-280.5137	102	6	2	8536	0	28	26
B-C	-50.1957	-3.9036	-228.1	-282.1992	104	8	2	8407	0	30	26
B-D	-121.5142	-160.2588	-361.867	-643.64	130	18	13	15247	16	30	13
C-D	0.0	4.9014	-45.8288	-40.9274	15	3	3	2038	0	6	7

Interface residues

• A-B: ALA201A, ARG167A, ARG17A, ARG17B, ASN19B, GLU50B, GLY16A, GLY16B, LEU18A, LEU18B, PHE13A, PHE13B, PRO15A, PRO15B, VAL12A, VAL12B, VAL14A, VAL14B
• A-C: ALA201A, ALA201C, ALA20A, ALA20C, ARG106A, ARG106C, ARG17A, ARG17C, ASN11A, ASN11C, ASN19A, ASN19C, ASN41A, ASN41C, ASN77A, ASN77C, ASN83A, ASN83C, ASP200A, ASP200C, ASP46A, ASP46C, ASP60A, ASP60C, ASP61A, ASP61C, ASP73A, ASP73C, GLU47A, GLU47C, GLU49A, GLU49C, GLU50A, GLU50C, GLU82A, GLU82C, GLY101A, GLY101C, GLY105A, GLY105C, GLY10A, GLY10C, GLY16A, GLY16C, GLY9A, GLY9C, HIS21A, HIS21C, ILE103A, ILE103C, ILE107A, ILE107C, ILE36C, ILE57A, ILE57C, ILE5A, ILE5C, ILE62A, ILE62C, LEU18A, LEU18C, LEU42A, LEU42C, LEU48A, LEU48C, LEU6A, LEU6C, LEU72A, LEU72C, LEU80A, LEU80C, LYS110A, LYS110C, LYS51A, LYS51C, PHE100A, PHE100C, PHE13A, PHE13C, PHE22A, PHE22C, PHE52A, PHE52C, PHE76A, PHE76C, PHE81A, PHE81C, PRO15A, PRO15C, PRO202A, PRO202C, PRO59A, PRO59C, SER114A, SER114C, SER23A, SER23C, SER43A, SER43C, SER44A, SER44C, SER53A, SER53C, SER58A, SER58C, SER78A, SER78C, THR102A, THR102C, THR24A, THR24C, THR8A, THR8C, TYR108A, TYR108C, VAL104A, VAL104C, VAL111A, VAL111C, VAL12A, VAL12C, VAL14A, VAL14C, VAL25A, VAL25C, VAL79A, VAL79C, VAL7A, VAL7C
• A-D: ALA141A, ALA141D, ALA201A, ALA201D, ALA20A, ALA20D, ARG142A, ARG142D, ARG167A, ARG167D, ARG17A, ARG17D, ASN11A, ASN11D, ASN166A, ASN166D, ASP162A, ASP162D, ASP172A, ASP172D, ASP200A, ASP200D, GLN181A, GLN181D, GLU47A, GLU47D, GLY10A, GLY10D, GLY16A, GLY16D, GLY176A, GLY176D, GLY178A, GLY178D, GLY9A, GLY9D, HIS140A, HIS140D, HIS144A, HIS199A, HIS199D, HIS21A, HIS21D, HIS69A, HIS69D, HIS71A, HIS71D, ILE163A, ILE163D, LEU168A, LEU168D, LEU18A, LEU18D, LYS175A, LYS175D, LYS183A, LYS183D, LYS95A, LYS95D, PHE100D, PHE13A, PHE13D, PHE197A, PHE197D, PHE22A, PHE22D, PRO138A, PRO138D, PRO15A, PRO15D, PRO165A, PRO165D, PRO198A, PRO198D, PRO202A, PRO202D, SER169A, SER169D, SER179A, SER179D, SER43D, SER44D, THR24A, THR24D, THR8A, THR8D, TRP139A, TRP139D, TYR171A, TYR171D, TYR177A, TYR177D, VAL12A, VAL12D, VAL14A, VAL14D, VAL180A, VAL180D, VAL182A, VAL182D, VAL7A, VAL7D
• B-C: ALA141B, ALA141C, ALA201B, ALA201C, ALA20B, ALA20C, ARG142B, ARG142C, ARG167B, ARG167C, ARG17B, ARG17C, ASN11B, ASN11C, ASN166B, ASN166C, ASN19C, ASP162B, ASP162C, ASP172B, ASP172C, ASP200B, ASP200C, GLN181B, GLN181C, GLU47B, GLU47C, GLY10B, GLY10C, GLY16B, GLY16C, GLY176B, GLY176C, GLY178B, GLY178C, GLY9B, GLY9C, HIS140B, HIS140C, HIS144C, HIS199B, HIS199C, HIS21B, HIS21C, HIS69C, HIS71B, HIS71C, ILE163B, ILE163C, ILE173B, ILE173C, LEU168B, LEU168C, LEU18B, LEU18C, LYS175B, LYS175C, LYS183B, LYS183C, LYS95B, LYS95C, PHE100C, PHE13B, PHE13C, PHE197B, PHE197C, PHE22B, PHE22C, PRO138B, PRO138C, PRO15B, PRO15C, PRO165B, PRO165C, PRO198B, PRO198C, PRO202B, PRO202C, SER169B, SER169C, SER179B, SER179C, SER44C, THR137C, THR24B, THR24C, THR8B, THR8C, TRP139B, TRP139C, TYR171B, TYR171C, TYR177B, TYR177C, VAL12B, VAL12C, VAL14B, VAL14C, VAL180B, VAL180C, VAL182B, VAL182C, VAL7B, VAL7C
• B-D: ALA201B, ALA201D, ALA20B, ALA20D, ARG106B, ARG106D, ARG17B, ARG17D, ASN11B, ASN11D, ASN19B, ASN19D, ASN41B, ASN41D, ASN77B, ASN77D, ASN83B, ASN83D, ASP200B, ASP200D, ASP46B, ASP46D, ASP60B, ASP60D, ASP61B, ASP61D, ASP73B, ASP73D, GLU47B, GLU47D, GLU49B, GLU49D, GLU50B, GLU50D, GLU82B, GLU82D, GLY101B, GLY101D, GLY105B, GLY105D, GLY10B, GLY10D, GLY16B, GLY16D, GLY9B, GLY9D, HIS21B, HIS21D, ILE103B, ILE103D, ILE107B, ILE107D, ILE36B, ILE36D, ILE57B, ILE57D, ILE5B, ILE5D, ILE62B, ILE62D, LEU18B, LEU18D, LEU42B, LEU42D, LEU48B, LEU48D, LEU6B, LEU6D, LEU72B, LEU72D, LEU80B, LEU80D, LYS110B, LYS110D, LYS51B, LYS51D, PHE100B, PHE100D, PHE13B, PHE13D, PHE22B, PHE22D, PHE52B, PHE52D, PHE76B, PHE76D, PHE81B, PHE81D, PRO15B, PRO15D, PRO202B, PRO202D, PRO59B, PRO59D, SER114B, SER114D, SER23B, SER23D, SER43B, SER43D, SER44B, SER44D, SER53B, SER53D, SER58B, SER58D, SER78B, SER78D, THR102B, THR102D, THR24B, THR24D, THR8B, THR8D, TYR108B, TYR108D, VAL104B, VAL104D, VAL111B, VAL111D, VAL12B, VAL12D, VAL14B, VAL14D, VAL25B, VAL25D, VAL79B, VAL79D, VAL7B, VAL7D
• C-D: ARG17C, ARG17D, ASN19D, GLY16C, GLY16D, LEU18C, LEU18D, PHE13C, PHE13D, PRO15C, PRO15D, VAL12C, VAL12D, VAL14C, VAL14D