3S19

crystal structure of the r262l mutant of 7-cyano-7-deazaguanine reductase, quef from vibrio cholerae complexed with preq0

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 185
  • Norm. En. per Res.: -4.1218
• Hub Node: A(2)

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	-174.5358	5.7047	-593.711	-762.5421	185	29	16	25312	4	50	30
A-C	0.0	0.0	-27.1574	-27.1574	34	0	1	1626	0	10	11
B-C	-25.6188	-4.2609	-208.995	-238.8748	95	6	6	8436	0	22	12
B-D	0.0	0.0	-28.3606	-28.3606	34	1	1	1589	0	10	11
C-D	-139.0319	3.6143	-591.279	-726.6966	183	34	16	25485	4	50	30

Interface residues

• A-B: ALA144A, ALA144B, ALA163A, ALA163B, ALA285A, ALA285B, ALA28A, ALA79A, ALA79B, ARG109A, ARG109B, ARG221A, ARG221B, ARG227A, ARG227B, ARG261A, ARG261B, ARG283A, ARG283B, ARG286A, ARG286B, ASN103A, ASN103B, ASN106A, ASN106B, ASN140A, ASN140B, ASN164A, ASN164B, ASN193A, ASN193B, ASN198B, ASN29B, ASN71A, ASN71B, ASP156A, ASP156B, ASP157A, ASP157B, ASP159A, ASP159B, ASP201A, ASP201B, ASP266A, ASP266B, CYS154A, GLN107A, GLN107B, GLN158A, GLN158B, GLN199A, GLN199B, GLN282A, GLN282B, GLN287A, GLN287B, GLN30A, GLN30B, GLN72A, GLN72B, GLN77A, GLN77B, GLU141A, GLU141B, GLU145A, GLU145B, GLU161A, GLU161B, GLU166A, GLU217A, GLU217B, GLU228A, GLU228B, GLU66A, GLU66B, GLY203A, GLY203B, GLY263A, GLY263B, GLY264A, GLY264B, GLY74A, GLY74B, GLY81A, GLY81B, HIS186A, HIS186B, HIS188A, HIS188B, ILE147A, ILE147B, ILE155A, ILE155B, ILE160A, ILE160B, ILE162A, ILE162B, ILE80A, ILE80B, LEU100A, LEU100B, LEU102A, LEU102B, LEU139A, LEU139B, LEU189A, LEU189B, LEU190A, LEU190B, LEU220A, LEU220B, LEU223A, LEU223B, LEU262A, LEU262B, LEU265A, LEU64A, LEU64B, LEU67A, LEU67B, LEU70A, LEU70B, LEU75A, LEU75B, LYS137B, LYS191A, LYS191B, LYS73A, LYS73B, LYS96A, LYS96B, LYS99A, LYS99B, PRO146A, PRO146B, PRO200A, PRO200B, PRO76A, PRO76B, SER104B, SER138A, SER138B, SER187A, SER187B, SER204A, SER204B, SER225A, SER225B, SER68A, SER68B, THR108A, THR108B, THR143A, THR143B, THR149A, THR149B, THR197A, THR197B, THR260A, THR260B, THR63A, THR63B, TRP113A, TRP113B, TRP202A, TRP202B, TRP69A, TRP69B, TYR105A, TYR105B, TYR142A, TYR142B, TYR165A, TYR165B, TYR259A, TYR259B, TYR27A, TYR65A, TYR65B, VAL148A, VAL148B, VAL224A, VAL224B, VAL78A, VAL78B
• A-C: ALA144A, ALA208C, ASN279A, CYS154A, GLN151A, GLN151C, GLN251C, GLN275C, GLN282A, GLU145A, GLU153A, GLU153C, GLU179C, GLU180C, GLU183C, GLU206A, GLY152A, GLY152C, HIS186A, HIS186C, HIS210C, HIS274C, HIS280A, ILE147A, PRO146A, SER182C, SER252C, THR143A, THR149A, TYR209C, VAL148A, VAL181C, VAL184A, VAL184C
• B-C: ALA144B, ALA144C, ALA208B, ALA208C, ALA277B, ALA277C, ARG283B, ARG283C, ASN135B, ASN135C, ASN140B, ASN140C, ASN279B, ASN279C, ASN281B, ASN281C, GLN151B, GLN151C, GLN251B, GLN251C, GLN275B, GLN275C, GLN282B, GLN282C, GLN57B, GLN57C, GLU141B, GLU141C, GLU145B, GLU145C, GLU153B, GLU153C, GLU183B, GLU183C, GLU206B, GLU206C, GLU82B, GLU82C, GLY152B, GLY152C, GLY211B, GLY211C, HIS210B, HIS210C, HIS274B, HIS274C, HIS280B, HIS280C, ILE147B, ILE147C, ILE207B, ILE207C, LEU139B, LEU139C, LEU185B, LEU185C, LEU253B, LEU253C, LYS137B, LYS137C, PHE270B, PHE270C, PRO146B, PRO146C, PRO278B, PRO278C, SER138B, SER138C, SER182B, SER182C, SER252B, SER252C, SER272B, SER272C, SER273B, SER273C, SER276B, SER276C, THR143B, THR143C, THR149B, THR149C, THR254B, THR254C, TYR142B, TYR142C, TYR209B, TYR209C, TYR256B, VAL148B, VAL148C, VAL181B, VAL181C, VAL184B, VAL184C
• B-D: ALA144D, ALA208B, ASN279B, ASN279D, CYS154D, GLN151B, GLN151D, GLN251B, GLN282D, GLU145D, GLU153B, GLU153D, GLU179B, GLU180B, GLU183B, GLU206D, GLY152B, GLY152D, HIS186B, HIS186D, HIS210B, HIS274B, HIS280D, ILE147D, PRO146D, SER182B, SER252B, THR143D, THR149D, TYR209B, VAL148D, VAL181B, VAL184B, VAL184D
• C-D: ALA144C, ALA144D, ALA163C, ALA163D, ALA285C, ALA285D, ALA28D, ALA79C, ALA79D, ARG109C, ARG109D, ARG221C, ARG221D, ARG227C, ARG227D, ARG261C, ARG261D, ARG283C, ARG283D, ARG286C, ARG286D, ASN103C, ASN103D, ASN106C, ASN106D, ASN140C, ASN140D, ASN164C, ASN164D, ASN193C, ASN198C, ASN29C, ASN71C, ASN71D, ASP156C, ASP156D, ASP157C, ASP157D, ASP159C, ASP159D, ASP201C, ASP201D, ASP266C, ASP266D, CYS154D, GLN107C, GLN107D, GLN158C, GLN158D, GLN199C, GLN199D, GLN282C, GLN282D, GLN287C, GLN287D, GLN30D, GLN72C, GLN72D, GLN77C, GLN77D, GLU141C, GLU141D, GLU145C, GLU145D, GLU161C, GLU161D, GLU166D, GLU217C, GLU217D, GLU228C, GLU228D, GLU66C, GLU66D, GLY203C, GLY203D, GLY263C, GLY263D, GLY264C, GLY264D, GLY74C, GLY74D, GLY81C, GLY81D, HIS186C, HIS186D, HIS188C, HIS188D, ILE147C, ILE147D, ILE155C, ILE155D, ILE160C, ILE160D, ILE162C, ILE162D, ILE80C, ILE80D, LEU100C, LEU100D, LEU102C, LEU102D, LEU139C, LEU139D, LEU189C, LEU189D, LEU190C, LEU190D, LEU220C, LEU220D, LEU223C, LEU223D, LEU262C, LEU262D, LEU265D, LEU64C, LEU64D, LEU67C, LEU67D, LEU70C, LEU70D, LEU75C, LEU75D, LYS137C, LYS137D, LYS191C, LYS191D, LYS73C, LYS73D, LYS96C, LYS96D, LYS99C, LYS99D, PRO146C, PRO146D, PRO200C, PRO200D, PRO76C, PRO76D, SER104D, SER138C, SER138D, SER187C, SER187D, SER204C, SER204D, SER225C, SER225D, SER68C, SER68D, THR108C, THR108D, THR143C, THR143D, THR149C, THR149D, THR197C, THR260C, THR260D, THR63C, THR63D, TRP113C, TRP113D, TRP202C, TRP202D, TRP69C, TRP69D, TYR105C, TYR105D, TYR142C, TYR142D, TYR165C, TYR165D, TYR259C, TYR259D, TYR27D, TYR65C, TYR65D, VAL148C, VAL148D, VAL224C, VAL224D, VAL78C, VAL78D