1OKJ

crystal structure of the essential e. coli yeaz protein by mad method using the gadolinium complex "dotma"

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 107
  • Norm. En. per Res.: -2.908
• 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	-9.6751	-34.332	-267.149	-311.1561	107	16	10	12460	2	19	19
A-C	0.0	0.0	-0.0056	-0.0056	2	0	0	4	0	0	0
A-D	-9.1218	49.1402	-120.897	-80.8786	90	2	1	5957	1	34	42
B-C	-8.8279	-27.8326	-74.5999	-111.2604	51	4	2	3384	4	28	26
C-D	-16.4022	-20.9499	-228.667	-266.0191	101	9	9	11147	0	16	21

Interface residues

• A-B: ALA208A, ALA208B, ALA212A, ALA212B, ALA77A, ALA77B, ALA81A, ALA81B, ALA84A, ALA84B, ARG31A, ARG31B, ARG36A, ARG36B, ARG71A, ARG71B, ASP43A, ASP43B, CYS29B, GLN35A, GLN35B, GLN42A, GLN42B, GLN78A, GLN78B, GLU210A, GLU210B, GLU213A, GLU213B, GLU32A, GLU32B, GLU85A, GLU85B, GLY69A, GLY69B, GLY73A, GLY73B, GLY75A, GLY75B, GLY79A, GLY79B, GLY83A, GLY83B, HIS211A, HIS211B, HIS33A, HIS33B, ILE37A, ILE37B, ILE44B, ILE55A, ILE5A, ILE5B, ILE72A, ILE72B, ILE74A, ILE74B, ILE76A, ILE76B, LEU38A, LEU38B, LEU3A, LEU3B, LEU45A, LEU45B, LEU52A, LEU52B, LEU58A, LEU58B, LEU80A, LEU80B, LEU82A, LEU82B, LEU86A, MET40A, MET40B, MET88A, MET88B, PHE67A, PHE67B, PRO214A, PRO214B, PRO30A, PRO30B, PRO39A, PRO39B, SER51A, SER51B, SER66A, SER66B, THR34A, THR34B, THR46A, THR53A, THR53B, THR68A, THR68B, THR7B, TYR216A, TYR216B, TYR60A, VAL209A, VAL209B, VAL41A, VAL41B, VAL70A, VAL70B
• A-C: ARG31A, PHE67C
• A-D: ALA116A, ALA11A, ALA11D, ALA15D, ALA168A, ALA168D, ALA189D, ALA24A, ALA24D, ARG103A, ARG103D, ARG117A, ARG117D, ARG31A, ARG31D, ARG36A, ARG36D, ASN105A, ASN105D, ASN23D, ASP115A, ASP115D, ASP171A, ASP171D, ASP182A, ASP182D, ASP43A, ASP43D, CYS12D, CYS29A, CYS29D, GLN167A, GLN167D, GLN35A, GLU10A, GLU10D, GLU184A, GLU184D, GLU191D, GLU27A, GLU27D, GLU32A, GLU32D, GLY163A, GLY163D, GLY165A, GLY183A, HIS25A, HIS25D, HIS33A, ILE114A, ILE114D, ILE44D, LEU172A, LEU186A, LEU186D, LEU187A, LEU187D, LEU28A, LEU28D, LYS104A, LYS104D, LYS174A, MET118A, MET40A, MET40D, PHE26A, PHE26D, PRO170A, PRO170D, PRO188D, PRO30A, PRO30D, SER13D, SER66A, THR164A, THR164D, THR21D, THR47A, THR47D, THR9A, THR9D, TRP166A, TRP166D, TRP169A, TRP169D, VAL14D, VAL185A, VAL185D, VAL22D
• B-C: ALA124C, ALA141B, ALA141C, ARG151B, ARG151C, ARG62C, GLN153B, GLN153C, GLN154B, GLN154C, GLU120B, GLU120C, GLU125B, GLU125C, GLU137B, GLU137C, GLU138B, GLU138C, GLU140B, GLU140C, GLU146B, GLU146C, GLU150B, GLU150C, GLY136C, HIS149B, HIS149C, ILE147B, ILE147C, LEU143B, LEU143C, LEU155B, LEU155C, LEU217B, LYS144B, LYS144C, MET118B, MET118C, MET152B, MET152C, SER156B, THR139B, THR139C, TRP123B, TRP123C, TYR216B, TYR216C, VAL142B, VAL142C, VAL148C, VAL215C
• C-D: ALA208C, ALA208D, ALA212C, ALA212D, ALA77C, ALA77D, ALA81C, ALA81D, ALA84C, ALA84D, ARG31C, ARG31D, ARG36C, ARG36D, ARG71C, ARG71D, ASP43C, ASP43D, GLN35C, GLN35D, GLN42C, GLN42D, GLN78C, GLN78D, GLU210C, GLU210D, GLU213C, GLU213D, GLU32C, GLU32D, GLU85C, GLU85D, GLY69C, GLY69D, GLY73C, GLY73D, GLY75C, GLY75D, GLY79C, GLY79D, GLY83C, GLY83D, HIS211C, HIS211D, HIS33C, HIS33D, ILE37C, ILE37D, ILE44C, ILE5C, ILE5D, ILE72C, ILE72D, ILE74C, ILE74D, ILE76C, ILE76D, LEU38C, LEU38D, LEU3C, LEU3D, LEU45C, LEU45D, LEU52C, LEU52D, LEU58C, LEU58D, LEU80C, LEU80D, LEU82C, LEU82D, MET40C, MET40D, MET88C, MET88D, PHE67C, PHE67D, PRO214C, PRO214D, PRO30C, PRO39C, PRO39D, SER66C, SER66D, THR34C, THR34D, THR46C, THR53C, THR68C, THR68D, THR7C, TYR216C, TYR216D, VAL14C, VAL207D, VAL209C, VAL209D, VAL41C, VAL41D, VAL70C, VAL70D