3R1X

crystal structure of 2-oxo-3-deoxygalactonate kinase from klebsiella pneumoniae

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 155
  • Norm. En. per Res.: -3.7112
• 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	-51.5555	-61.569	-462.113	-575.2376	155	13	23	20393	7	20	31
A-C	-40.4776	-24.3111	-257.989	-322.7777	166	9	0	12032	2	27	34
A-D	0.0	0.0	-1.5399	-1.5399	11	0	0	152	0	0	0
B-C	0.0	0.0	-2.4905	-2.4905	13	0	0	238	0	0	0
B-D	-39.3058	4.5774	-102.838	-137.5664	66	3	0	3981	7	16	14
C-D	-40.4609	-71.3692	-459.552	-571.3821	159	10	21	20378	4	18	31

Interface residues

• A-B: ALA175A, ALA175B, ALA199A, ALA199B, ALA209A, ALA209B, ALA215A, ALA215B, ALA232A, ALA232B, ALA235A, ALA235B, ARG109A, ARG109B, ARG117A, ARG117B, ARG156A, ARG156B, ARG193A, ARG193B, ARG208A, ARG208B, ARG218A, ARG218B, ASN112A, ASN112B, ASN114A, ASN114B, ASN197A, ASN197B, ASN70A, ASN70B, ASP110A, ASP110B, ASP111A, ASP111B, CYS106A, CYS106B, CYS142A, CYS142B, GLN169A, GLN169B, GLN203A, GLN203B, GLU162A, GLU162B, GLU206A, GLU206B, GLU233A, GLU233B, GLY174A, GLY174B, GLY176B, GLY194A, GLY194B, GLY214A, GLY214B, GLY231A, GLY231B, HIS113A, HIS113B, HIS141A, HIS141B, HIS165A, HIS165B, HIS211A, HIS211B, ILE230A, ILE230B, LEU105A, LEU105B, LEU159A, LEU159B, LEU163A, LEU163B, LEU166A, LEU166B, LEU167A, LEU167B, LEU168A, LEU168B, LEU170A, LEU170B, LEU172A, LEU172B, LEU201A, LEU201B, LEU204A, LEU204B, LEU213A, LEU213B, LEU216A, LEU216B, LEU225B, LEU228A, LEU228B, LEU229A, LEU229B, LEU237A, LEU237B, LYS143A, LYS143B, PHE155A, PHE155B, PHE205A, PHE205B, PHE224A, PHE224B, PHE241A, PHE241B, PRO198A, PRO198B, PRO202A, PRO202B, PRO80A, PRO80B, SER108A, SER108B, SER12A, SER171A, SER171B, SER210A, SER210B, SER69A, THR140A, THR140B, THR157A, THR157B, THR160A, THR160B, THR236A, THR236B, THR240A, THR240B, TRP144A, TRP144B, TYR78A, TYR78B, VAL107A, VAL107B, VAL115A, VAL115B, VAL158A, VAL158B, VAL173A, VAL173B, VAL200A, VAL200B, VAL207A, VAL207B, VAL212A, VAL212B, VAL234A, VAL234B, VAL71A
• A-C: ALA175C, ALA251A, ALA251C, ALA33A, ALA33C, ALA44A, ALA44C, ALA45A, ALA45C, ALA48A, ALA48C, ALA94A, ALA94C, ARG16A, ARG16C, ARG258A, ARG258C, ARG29A, ARG29C, ARG37A, ARG37C, ARG41A, ARG41C, ASN14A, ASN14C, ASN39A, ASN39C, ASN70A, ASN70C, ASP276A, ASP276C, ASP9A, ASP9C, CYS142C, GLN169A, GLN169C, GLN180A, GLN180C, GLN220A, GLN220C, GLN30A, GLN30C, GLU162A, GLU162C, GLU181A, GLU181C, GLU219A, GLU219C, GLU223A, GLU223C, GLU32A, GLU32C, GLU49A, GLU49C, GLY11A, GLY11C, GLY139A, GLY139C, GLY161A, GLY161C, GLY176A, GLY176C, GLY227A, GLY227C, GLY252A, GLY252C, GLY34A, GLY34C, GLY40A, GLY40C, GLY72A, GLY72C, HIS141A, HIS141C, HIS164A, HIS164C, HIS165A, HIS165C, ILE101A, ILE101C, ILE230A, ILE230C, ILE75A, ILE75C, LEU15A, LEU15C, LEU163C, LEU166A, LEU166C, LEU168A, LEU168C, LEU170A, LEU170C, LEU177A, LEU177C, LEU225A, LEU225C, LEU229A, LEU229C, LEU255A, LEU255C, LEU38A, LEU38C, LYS74A, LYS74C, PHE187A, PHE187C, PHE224A, PRO138A, PRO138C, PRO178A, PRO178C, PRO179A, PRO179C, PRO43A, PRO43C, SER12A, SER12C, SER171A, SER183A, SER183C, SER222A, SER222C, SER226A, SER226C, SER253A, SER253C, SER254A, SER254C, SER257A, SER28A, SER28C, SER31A, SER31C, SER42A, SER42C, SER69A, SER69C, THR13A, THR13C, THR140A, THR140C, THR160A, THR160C, THR182A, THR182C, THR256A, THR256C, THR36A, THR36C, THR93A, THR93C, TRP73A, TRP73C, TYR259A, TYR259C, VAL221A, VAL35A, VAL35C, VAL46A, VAL46C, VAL67C, VAL71A, VAL71C, VAL95A, VAL95C
• A-D: ALA175D, ARG218D, ARG37A, GLN169A, GLY176D, HIS165A, LEU166A, LEU170A, LEU172D, LEU177D, SER171A
• B-C: ALA175B, ARG218B, ARG37C, GLN169C, GLY176B, HIS165C, LEU166C, LEU170C, LEU172B, LEU177B, PRO178B, SER171B, SER171C
• B-D: ALA175B, ALA175D, ALA184B, ALA185B, ALA185D, ALA186B, ALA186D, ARG218B, ARG218D, ARG37B, ARG37D, ASN14B, ASN14D, GLN169B, GLN169D, GLN180B, GLN180D, GLN220B, GLN220D, GLN30B, GLU162B, GLU162D, GLU181B, GLU181D, GLU219B, GLU219D, GLU32B, GLU32D, GLY161B, GLY161D, GLY174B, GLY174D, GLY176B, GLY176D, GLY214B, GLY214D, HIS164D, HIS165B, HIS165D, HIS211B, HIS211D, LEU166B, LEU166D, LEU168B, LEU168D, LEU170B, LEU170D, LEU177B, LEU177D, LEU216B, LEU216D, PRO178B, PRO178D, PRO179B, PRO179D, PRO217B, PRO217D, SER12D, SER171D, SER183B, SER183D, THR13B, THR13D, THR140B, THR140D, THR182B
• C-D: ALA175C, ALA175D, ALA199C, ALA199D, ALA209C, ALA209D, ALA215C, ALA215D, ALA232C, ALA232D, ALA235C, ALA235D, ARG109C, ARG109D, ARG117C, ARG117D, ARG156C, ARG156D, ARG193C, ARG193D, ARG208C, ARG208D, ARG218C, ARG218D, ASN112C, ASN112D, ASN114C, ASN114D, ASN197C, ASN197D, ASN70C, ASN70D, ASP110C, ASP110D, ASP111C, ASP111D, CYS106C, CYS106D, CYS142C, CYS142D, GLN169C, GLN169D, GLN203C, GLN203D, GLU162C, GLU162D, GLU206C, GLU206D, GLU233C, GLU233D, GLY174C, GLY174D, GLY176D, GLY194C, GLY194D, GLY214C, GLY214D, GLY231C, GLY231D, HIS113C, HIS113D, HIS141C, HIS141D, HIS165C, HIS165D, HIS211C, HIS211D, ILE230C, ILE230D, ILE75C, LEU105C, LEU105D, LEU159C, LEU159D, LEU163C, LEU163D, LEU166C, LEU166D, LEU167C, LEU167D, LEU168C, LEU168D, LEU170C, LEU170D, LEU172C, LEU172D, LEU201C, LEU201D, LEU204C, LEU204D, LEU213C, LEU213D, LEU216C, LEU216D, LEU225D, LEU228C, LEU228D, LEU229C, LEU229D, LEU237C, LEU237D, LYS143C, LYS143D, PHE155C, PHE155D, PHE205C, PHE205D, PHE224C, PHE224D, PHE241C, PHE241D, PRO198C, PRO198D, PRO202C, PRO202D, PRO80C, PRO80D, SER108C, SER108D, SER12C, SER171C, SER171D, SER210C, SER210D, SER69C, SER69D, THR140C, THR140D, THR157C, THR157D, THR160C, THR160D, THR236C, THR236D, THR240C, THR240D, THR36C, TRP144C, TRP144D, TYR78C, TYR78D, VAL107C, VAL107D, VAL115C, VAL115D, VAL158C, VAL158D, VAL173C, VAL173D, VAL200C, VAL200D, VAL207C, VAL207D, VAL212C, VAL212D, VAL234C, VAL234D, VAL71C, VAL71D