3DR4

gdp-perosamine synthase k186a mutant from caulobacter crescentus with bound sugar ligand

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 227
  • Norm. En. per Res.: -3.4395
• 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	-72.3785	-52.6399	-655.755	-780.7734	227	27	8	26505	6	29	29
A-D	0.0	-32.7819	-52.4074	-85.1893	56	1	1	3101	0	22	17
B-C	0.0	-8.478	-53.3494	-61.8274	56	0	1	3109	0	21	17
C-D	-60.8679	-28.9259	-666.354	-756.1478	226	26	8	26962	5	29	29

Interface residues

• A-B: ALA10A, ALA10B, ALA11A, ALA11B, ALA186A, ALA186B, ALA238A, ALA238B, ALA242A, ALA242B, ALA328A, ALA328B, ALA63A, ALA63B, ALA88A, ALA88B, ALA90A, ALA90B, ARG13A, ARG13B, ARG19A, ARG19B, ARG211A, ARG211B, ARG219A, ARG219B, ARG220A, ARG220B, ARG231A, ARG231B, ARG300A, ARG300B, ARG315A, ARG315B, ASN17A, ASN17B, ASN185A, ASN185B, ASN218A, ASN229A, ASN229B, ASN234A, ASN234B, ASN347A, ASN347B, ASN58A, ASN58B, ASN59A, ASN59B, ASN91A, ASN91B, ASP15A, ASP20A, ASP20B, ASP216A, ASP216B, ASP27A, ASP27B, ASP301A, ASP301B, CYS25A, CYS25B, GLN213A, GLN213B, GLN236A, GLN236B, GLN243A, GLN243B, GLU160B, GLU18A, GLU18B, GLU192A, GLU192B, GLU24A, GLU24B, GLU313A, GLU313B, GLY16A, GLY16B, GLY184A, GLY184B, GLY191A, GLY191B, GLY193A, GLY193B, GLY194A, GLY194B, GLY212A, GLY212B, GLY214A, GLY214B, GLY227A, GLY227B, GLY240A, GLY60A, GLY60B, HIS319A, HIS319B, HIS322A, HIS322B, HIS329A, HIS329B, HIS65A, HIS65B, ILE225A, ILE225B, ILE235A, ILE235B, ILE239A, ILE239B, ILE304A, ILE304B, ILE31A, ILE31B, ILE323A, ILE323B, ILE38A, ILE38B, ILE87A, ILE87B, LEU14A, LEU14B, LEU210A, LEU210B, LEU23A, LEU23B, LEU64A, LEU64B, LYS305B, MET215A, MET215B, MET232A, MET232B, MET26A, MET26B, MET287A, MET287B, MET321A, MET321B, MET324A, MET324B, PHE182A, PHE182B, PHE183A, PHE183B, PHE223A, PHE223B, PHE228A, PHE228B, PHE318A, PHE318B, PRO100A, PRO100B, PRO12A, PRO12B, PRO224A, PRO224B, PRO316A, PRO316B, PRO320A, PRO320B, PRO325A, PRO325B, PRO326A, PRO326B, SER181A, SER181B, SER314A, SER314B, SER32A, SER32B, SER33A, SER33B, SER89A, SER89B, SER8A, SER8B, SER92A, SER92B, THR189A, THR189B, THR190A, THR190B, THR233A, THR233B, THR28A, THR28B, THR29A, THR29B, THR61A, THR61B, THR62A, THR62B, THR85A, THR85B, THR94A, THR94B, TRP222A, TRP222B, TRP286A, TRP286B, TRP30A, TRP30B, TYR134A, TYR134B, TYR21A, TYR21B, TYR221A, TYR221B, TYR230A, TYR230B, TYR327A, TYR327B, TYR86A, TYR86B, TYR95A, TYR95B, VAL226A, VAL226B, VAL22A, VAL22B, VAL317A, VAL317B, VAL34A, VAL34B, VAL9A, VAL9B
• A-D: ALA119A, ALA119D, ALA328A, ALA328D, ALA331A, ALA331D, ARG124A, ARG124D, ARG149A, ARG149D, ASP333A, ASP333D, ASP334A, ASP334D, GLU118A, GLU118D, GLU78A, GLU78D, GLY76A, GLY76D, HIS150A, HIS150D, HIS322A, HIS322D, HIS329A, HIS329D, ILE121A, ILE121D, ILE80A, ILE80D, LEU102A, LEU102D, LEU120A, LEU120D, LEU330A, LEU330D, LEU335A, LEU335D, LYS126A, PRO100A, PRO100D, PRO123A, PRO123D, THR122A, THR122D, THR125D, THR332A, THR332D, THR99A, THR99D, TYR327A, TYR327D, VAL101A, VAL101D, VAL79A, VAL79D
• B-C: ALA119B, ALA119C, ALA328B, ALA328C, ALA331B, ALA331C, ARG124B, ARG124C, ARG149B, ARG149C, ASP333B, ASP333C, ASP334B, ASP334C, GLU118B, GLU118C, GLU78B, GLU78C, GLY76B, GLY76C, HIS150B, HIS150C, HIS322B, HIS322C, HIS329B, HIS329C, ILE121B, ILE121C, ILE80C, LEU102B, LEU102C, LEU120B, LEU120C, LEU330B, LEU330C, LEU335B, LEU335C, LYS126B, LYS126C, PRO100B, PRO100C, PRO123B, PRO123C, THR122B, THR122C, THR125C, THR332B, THR332C, THR99B, THR99C, TYR327B, TYR327C, VAL101B, VAL101C, VAL79B, VAL79C
• C-D: ALA10C, ALA10D, ALA11C, ALA11D, ALA186C, ALA186D, ALA238C, ALA238D, ALA242C, ALA242D, ALA328C, ALA328D, ALA63C, ALA63D, ALA88C, ALA88D, ALA90C, ALA90D, ARG13C, ARG13D, ARG19C, ARG19D, ARG211C, ARG211D, ARG219C, ARG219D, ARG220C, ARG220D, ARG231C, ARG231D, ARG300C, ARG300D, ARG315C, ARG315D, ARG6D, ASN17C, ASN17D, ASN185C, ASN185D, ASN229C, ASN229D, ASN234C, ASN234D, ASN347C, ASN347D, ASN58C, ASN58D, ASN59C, ASN59D, ASN91C, ASN91D, ASP20C, ASP20D, ASP216C, ASP216D, ASP27C, ASP27D, ASP301C, ASP301D, CYS25C, CYS25D, CYS57D, GLN213C, GLN213D, GLN236C, GLN236D, GLN243C, GLN243D, GLU160C, GLU18C, GLU18D, GLU192C, GLU192D, GLU24C, GLU24D, GLU313C, GLU313D, GLY16C, GLY16D, GLY184C, GLY184D, GLY191C, GLY191D, GLY193C, GLY193D, GLY194D, GLY212C, GLY212D, GLY214C, GLY214D, GLY227C, GLY227D, GLY240C, GLY240D, GLY60C, GLY60D, HIS319C, HIS319D, HIS322C, HIS322D, HIS329C, HIS329D, HIS65C, HIS65D, ILE225C, ILE225D, ILE235C, ILE235D, ILE239C, ILE239D, ILE304C, ILE304D, ILE31C, ILE31D, ILE323C, ILE323D, ILE38C, ILE38D, ILE87C, ILE87D, LEU14C, LEU14D, LEU210C, LEU210D, LEU23C, LEU23D, LEU64C, LEU64D, MET215C, MET215D, MET232C, MET232D, MET26C, MET26D, MET287C, MET287D, MET321C, MET321D, MET324C, MET324D, PHE182C, PHE182D, PHE183C, PHE183D, PHE223C, PHE223D, PHE228C, PHE228D, PHE318C, PHE318D, PRO100C, PRO12C, PRO12D, PRO224C, PRO224D, PRO316C, PRO316D, PRO320C, PRO320D, PRO325C, PRO325D, PRO326C, PRO326D, SER181C, SER181D, SER314C, SER314D, SER32C, SER32D, SER33C, SER33D, SER89C, SER89D, SER8C, SER8D, SER92C, SER92D, THR189C, THR189D, THR190C, THR190D, THR233C, THR233D, THR28C, THR28D, THR29C, THR29D, THR61C, THR61D, THR62C, THR62D, THR85C, THR85D, THR94C, THR94D, TRP222C, TRP222D, TRP286C, TRP286D, TRP30C, TRP30D, TYR134C, TYR134D, TYR21C, TYR21D, TYR221C, TYR221D, TYR230C, TYR230D, TYR327C, TYR327D, TYR86C, TYR86D, TYR95C, TYR95D, VAL226C, VAL226D, VAL22C, VAL22D, VAL317C, VAL317D, VAL34C, VAL34D, VAL69C, VAL9C, VAL9D