1XEA

crystal structure of a gfo/idh/moca family oxidoreductase from vibrio cholerae

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 130
  • Norm. En. per Res.: -4.1514
• 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	-72.4797	-26.778	-440.428	-539.6857	130	20	4	15260	9	61	65
A-C	-23.1841	-16.3029	-38.3247	-77.8116	21	3	0	1500	0	12	11
A-D	-57.9476	-17.7555	-150.027	-225.7301	108	12	0	6881	3	34	24
B-C	-32.7116	-9.2316	-134.443	-176.3862	103	4	0	6247	4	34	25
B-D	-22.388	-15.2027	-33.2114	-70.8021	21	3	0	1415	0	14	11
C-D	-69.1167	-3.0136	-443.65	-515.7802	130	33	4	15772	9	60	65

Interface residues

• A-B: ALA143A, ALA155A, ALA155B, ALA198A, ALA198B, ALA228A, ALA228B, ALA234A, ALA234B, ARG145A, ARG145B, ARG148A, ARG148B, ARG153A, ARG153B, ARG199A, ARG199B, ARG217A, ARG217B, ARG247A, ARG247B, ASN216A, ASN216B, ASN232A, ASN232B, ASN249A, ASN249B, ASP184B, ASP185A, ASP185B, ASP201A, ASP201B, ASP208A, ASP208B, ASP231A, ASP231B, ASP238A, ASP238B, ASP248A, ASP248B, GLN203A, GLN203B, GLN205A, GLN205B, GLN218A, GLN218B, GLN250A, GLN250B, GLU150A, GLU150B, GLU194A, GLU194B, GLU251A, GLU251B, GLY207A, GLY207B, GLY220A, GLY220B, HIS152A, HIS152B, HIS154A, HIS154B, HIS187A, HIS187B, HIS191A, HIS191B, HIS212A, HIS212B, HIS225A, HIS225B, ILE221A, ILE221B, LEU144A, LEU144B, LEU147B, LEU156A, LEU156B, LEU186A, LEU186B, LEU188A, LEU188B, LEU200A, LEU200B, LEU210A, LEU210B, LEU211A, LEU211B, LEU236A, LEU236B, LYS244A, LYS244B, PHE219A, PHE219B, PRO157A, PRO157B, SER146A, SER146B, SER193A, SER193B, SER214A, SER214B, SER229A, SER229B, SER252A, SER252B, THR189A, THR189B, THR206B, THR209A, THR209B, THR222A, THR222B, THR223A, THR223B, THR227A, THR227B, TRP204A, TRP204B, TRP246A, TRP246B, TYR190A, TYR190B, TYR230A, TYR230B, TYR235A, TYR235B, VAL202A, VAL202B, VAL233A, VAL233B
• A-C: ALA255A, ALA255C, ARG247A, ARG253A, ARG253C, ASN249A, ASN249C, GLN250A, GLN250C, GLU251A, GLU251C, LYS244A, LYS244C, LYS257A, LYS257C, SER252A, SER252C, TRP246A, TRP246C, VAL254A, VAL254C
• A-D: ALA17A, ALA17D, ALA23A, ALA23D, ALA255A, ALA255D, ALA44A, ALA44D, ALA51A, ALA51D, ARG123A, ARG123D, ARG153A, ARG153D, ARG253A, ARG253D, ARG46A, ARG46D, ARG48A, ARG48D, ASN122A, ASN122D, ASP12A, ASP12D, ASP238A, ASP238D, ASP258A, ASP258D, ASP269D, ASP27A, ASP27D, GLN15A, GLN15D, GLN242A, GLN242D, GLN24A, GLN24D, GLU224A, GLU224D, GLU29A, GLU29D, HIS170A, HIS170D, HIS225D, ILE13A, ILE13D, ILE221A, ILE221D, ILE28A, ILE28D, LEU19A, LEU19D, LEU22A, LEU22D, LEU263A, LEU263D, LEU30A, LEU30D, LEU32A, LEU32D, LEU43A, LEU43D, LYS151A, LYS16A, LYS16D, LYS257A, LYS257D, LYS266A, LYS266D, PHE240A, PHE240D, PHE268A, PHE268D, PRO20A, PRO20D, PRO261A, PRO261D, PRO26A, PRO26D, SER239A, SER239D, SER265A, SER50A, SER50D, THR222A, THR222D, THR223A, THR223D, THR241A, THR241D, THR260A, THR260D, THR42A, THR42D, THR45A, THR45D, TRP259A, TRP259D, TRP25A, TRP25D, TYR18A, TYR18D, TYR47A, TYR47D, VAL21A, VAL21D, VAL49A, VAL49D
• B-C: ALA17B, ALA17C, ALA23B, ALA23C, ALA255B, ALA255C, ALA44B, ALA44C, ALA51B, ARG123B, ARG123C, ARG153C, ARG253B, ARG253C, ARG46B, ARG46C, ARG48B, ARG48C, ASN122B, ASN122C, ASP12B, ASP238B, ASP238C, ASP258B, ASP258C, ASP269C, ASP27B, ASP27C, GLN15B, GLN15C, GLN242B, GLN242C, GLN24B, GLN24C, GLU224B, GLU224C, GLU29B, GLU29C, HIS170B, HIS170C, ILE13B, ILE13C, ILE221B, ILE221C, ILE28B, ILE28C, LEU19B, LEU19C, LEU22B, LEU22C, LEU263B, LEU263C, LEU30B, LEU30C, LEU32B, LEU32C, LEU43B, LYS151C, LYS16B, LYS16C, LYS257B, LYS257C, LYS266B, LYS266C, LYS94B, PHE240B, PHE240C, PHE268B, PHE268C, PRO20B, PRO20C, PRO261B, PRO261C, PRO26B, PRO26C, SER239B, SER239C, SER50B, SER50C, THR222B, THR222C, THR223B, THR223C, THR241B, THR241C, THR260B, THR260C, THR42B, THR42C, THR45B, THR45C, TRP259B, TRP259C, TRP25B, TRP25C, TYR18B, TYR18C, TYR47B, TYR47C, VAL21B, VAL21C, VAL49B, VAL49C
• B-D: ALA255B, ALA255D, ARG253B, ARG253D, ASN249B, ASN249D, ASP258D, GLN242B, GLN250B, GLN250D, GLU251B, GLU251D, LYS244B, LYS244D, LYS257D, SER252B, SER252D, TRP246B, TRP246D, VAL254B, VAL254D
• C-D: ALA143D, ALA155C, ALA155D, ALA198C, ALA198D, ALA228C, ALA228D, ALA234C, ALA234D, ARG145C, ARG145D, ARG148C, ARG148D, ARG153C, ARG153D, ARG199C, ARG199D, ARG217C, ARG217D, ARG247C, ARG247D, ASN216C, ASN216D, ASN232C, ASN232D, ASN249C, ASN249D, ASP184C, ASP185C, ASP185D, ASP201C, ASP201D, ASP208C, ASP208D, ASP231C, ASP231D, ASP238C, ASP238D, ASP248C, ASP248D, GLN203C, GLN203D, GLN205C, GLN205D, GLN218C, GLN218D, GLN250C, GLN250D, GLU150C, GLU150D, GLU251C, GLU251D, GLY207C, GLY207D, GLY220C, GLY220D, HIS152C, HIS152D, HIS154C, HIS154D, HIS187C, HIS187D, HIS191C, HIS191D, HIS212C, HIS212D, HIS225C, HIS225D, ILE221C, ILE221D, LEU144C, LEU144D, LEU147C, LEU147D, LEU156C, LEU156D, LEU186C, LEU186D, LEU188C, LEU188D, LEU200C, LEU200D, LEU210C, LEU210D, LEU211C, LEU211D, LEU236C, LEU236D, LYS244C, LYS244D, PHE219C, PHE219D, PRO157C, PRO157D, SER146C, SER146D, SER193C, SER193D, SER214C, SER214D, SER229C, SER229D, SER252C, SER252D, THR189C, THR189D, THR206C, THR206D, THR209C, THR209D, THR222C, THR222D, THR223C, THR223D, THR227C, THR227D, TRP204C, TRP204D, TRP246C, TRP246D, TYR190C, TYR190D, TYR230C, TYR230D, TYR235C, TYR235D, VAL202C, VAL202D, VAL233C, VAL233D