3GE1

2.7 angstrom crystal structure of glycerol kinase (glpk) from staphylococcus aureus in complex with adp and glycerol

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 173
  • Norm. En. per Res.: -4.4011
• 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	-125.8525	-85.6654	-544.823	-756.3409	177	22	22	22041	7	34	45
A-C	-21.4556	30.8112	-167.135	-157.7795	88	19	4	6848	0	41	40
A-D	0.0	0.0	-0.0022	-0.0022	3	0	0	2	0	0	0
B-D	-17.0915	65.6989	-162.839	-114.2315	91	13	4	7112	1	35	36
C-D	-99.0391	-98.6332	-563.718	-761.3903	173	21	22	21973	8	31	43

Interface residues

• A-B: ALA311A, ALA311B, ALA346A, ALA346B, ALA359A, ALA359B, ALA362A, ALA362B, ALA488A, ALA488B, ALA491A, ALA491B, ARG105A, ARG105B, ARG316A, ARG316B, ARG320A, ARG320B, ARG334A, ARG334B, ARG360A, ARG360B, ARG368A, ARG368B, ARG483A, ARG483B, ASP317A, ASP317B, GLN103A, GLN103B, GLN313A, GLN313B, GLN36A, GLN36B, GLN40A, GLN40B, GLN493A, GLN493B, GLU339A, GLU339B, GLU358A, GLU358B, GLU371A, GLU371B, GLU373A, GLU373B, GLU45A, GLU45B, GLU490A, GLU490B, GLU498A, GLY267A, GLY267B, GLY309A, GLY309B, GLY318A, GLY318B, GLY340A, GLY340B, GLY349A, GLY349B, GLY361A, GLY361B, GLY365A, GLY365B, GLY369A, GLY369B, GLY42A, GLY42B, GLY484A, GLY484B, HIS374A, HIS374B, HIS46A, HIS46B, ILE322A, ILE363A, ILE363B, ILE376A, ILE376B, LEU315A, LEU315B, LEU319A, LEU319B, LEU366A, LEU366B, LEU481A, LEU481B, LYS35B, LYS372A, LYS372B, LYS480A, LYS480B, LYS486A, LYS486B, LYS487A, LYS487B, LYS496A, LYS496B, PHE306A, PHE306B, PHE347A, PHE347B, PHE34A, PHE364A, PHE364B, PHE375A, PHE375B, PHE38A, PHE38B, PHE495A, PHE495B, PRO345A, PRO345B, PRO39A, PRO39B, SER104A, SER104B, SER308A, SER308B, SER310A, SER310B, SER337A, SER337B, SER41A, SER41B, THR12A, THR12B, THR13A, THR13B, THR266A, THR266B, THR338A, THR338B, THR367A, THR367B, THR370A, THR370B, THR379A, THR492A, THR492B, THR497A, THR497B, TRP102A, TRP102B, TRP314A, TRP314B, TRP43A, TRP43B, TRP485A, TRP485B, TYR331A, TYR331B, TYR342A, TYR342B, TYR37A, TYR37B, VAL101A, VAL101B, VAL307A, VAL307B, VAL335A, VAL335B, VAL341A, VAL341B, VAL343A, VAL343B, VAL344A, VAL344B, VAL348A, VAL348B, VAL44A, VAL44B, VAL489A, VAL489B, VAL494A, VAL494B
• A-C: ALA0A, ALA48A, ALA48C, ALA57A, ALA57C, ALA70A, ARG320A, ARG320C, ARG32A, ARG32C, ARG69A, ARG69C, ARG94A, ARG94C, ASN323A, ASN323C, ASN49A, ASN49C, ASN64A, ASN64C, ASN66A, ASN66C, ASP228A, ASP228C, ASP47A, ASP47C, ASP67A, ASP67C, GLN234A, GLN234C, GLN31A, GLN31C, GLU33A, GLU33C, GLU50A, GLU50C, GLU61A, GLU61C, GLU65A, GLU65C, GLY233A, GLY233C, GLY93C, HIS230A, HIS230C, HIS91C, ILE227A, ILE227C, ILE51A, ILE51C, ILE63A, ILE63C, LEU56A, LEU56C, LYS171A, LYS171C, LYS175C, PHE231A, PHE231C, PHE34A, PHE34C, PRO95A, PRO95C, SER54A, SER54C, THR53A, THR53C, THR60A, THR60C, THR92A, THR92C, TRP167A, TRP167C, TRP52A, TRP52C, TYR229A, TYR229C, TYR232A, TYR232C, TYR37A, TYR37C, VAL55C, VAL58A, VAL58C, VAL62A, VAL62C, VAL68A, VAL68C
• A-D: ARG334D, ASN323A, GLN327A
• B-D: ALA48B, ALA48D, ALA57B, ALA57D, ALA70D, ARG320B, ARG320D, ARG32B, ARG32D, ARG69B, ARG69D, ARG94B, ARG94D, ASN323B, ASN323D, ASN49B, ASN49D, ASN64B, ASN64D, ASN66B, ASN66D, ASP228B, ASP228D, ASP47B, ASP47D, ASP67B, ASP67D, GLN234B, GLN234D, GLN31B, GLN31D, GLU33B, GLU33D, GLU50B, GLU50D, GLU61B, GLU61D, GLU65B, GLU65D, GLY233B, GLY233D, GLY93B, GLY93D, HIS230B, HIS230D, HIS91B, HIS91D, ILE227B, ILE227D, ILE51B, ILE51D, ILE63B, ILE63D, LEU56B, LEU56D, LYS171B, LYS171D, LYS175B, LYS175D, LYS35B, LYS35D, PHE231B, PHE231D, PHE34B, PHE34D, PRO95B, PRO95D, SER54B, SER54D, THR53B, THR53D, THR60B, THR60D, THR92B, THR92D, TRP167B, TRP167D, TRP52B, TRP52D, TYR229B, TYR229D, TYR232B, TYR232D, TYR37B, TYR37D, VAL58B, VAL58D, VAL62B, VAL62D, VAL68B, VAL68D
• C-D: ALA311C, ALA311D, ALA346C, ALA346D, ALA359C, ALA359D, ALA362C, ALA362D, ALA488C, ALA488D, ALA491C, ALA491D, ARG105C, ARG105D, ARG316C, ARG316D, ARG320C, ARG320D, ARG334C, ARG334D, ARG360C, ARG360D, ARG368C, ARG368D, ARG483C, ARG483D, ASP317C, ASP317D, GLN103C, GLN103D, GLN313C, GLN313D, GLN36C, GLN36D, GLN40C, GLN40D, GLN493C, GLN493D, GLU339C, GLU339D, GLU358C, GLU358D, GLU371C, GLU371D, GLU373C, GLU373D, GLU45C, GLU490C, GLU490D, GLY265D, GLY267C, GLY267D, GLY309C, GLY309D, GLY318C, GLY318D, GLY340C, GLY340D, GLY349C, GLY349D, GLY361C, GLY361D, GLY365C, GLY365D, GLY369C, GLY369D, GLY42C, GLY42D, GLY484C, GLY484D, HIS374C, HIS374D, HIS46C, HIS46D, ILE322C, ILE322D, ILE363C, ILE363D, ILE376C, ILE376D, LEU315C, LEU315D, LEU319C, LEU319D, LEU366C, LEU366D, LEU481C, LEU481D, LYS35D, LYS372C, LYS372D, LYS480C, LYS480D, LYS486C, LYS486D, LYS487C, LYS487D, LYS496C, LYS496D, PHE306C, PHE306D, PHE347C, PHE347D, PHE34C, PHE34D, PHE364C, PHE364D, PHE375C, PHE375D, PHE38C, PHE38D, PHE495C, PHE495D, PRO345C, PRO345D, PRO39C, PRO39D, SER104D, SER308C, SER308D, SER310C, SER310D, SER41C, SER41D, THR12C, THR12D, THR13C, THR13D, THR266C, THR266D, THR338C, THR367C, THR367D, THR370C, THR370D, THR492C, THR492D, THR497C, THR497D, TRP102C, TRP102D, TRP314C, TRP314D, TRP43C, TRP43D, TRP485C, TRP485D, TYR331C, TYR331D, TYR342C, TYR342D, TYR37C, TYR37D, VAL101C, VAL101D, VAL307C, VAL307D, VAL335C, VAL335D, VAL341C, VAL341D, VAL343C, VAL343D, VAL344C, VAL344D, VAL348C, VAL348D, VAL44C, VAL44D, VAL489C, VAL489D, VAL494C, VAL494D