3IKH

crystal structure of ribokinase in complex with atp and glycerol in the active site from klebsiella pneumoniae

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 122
  • Norm. En. per Res.: -4.2686
• 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	-29.8665	-16.451	-127.734	-174.0515	64	5	1	5064	5	20	23
A-C	-117.232	-49.5658	-353.971	-520.7688	122	28	8	14639	4	35	18
B-C	0.0	0.0	-11.5737	-11.5737	20	0	0	478	0	5	5
B-D	-92.3953	-7.11	-370.014	-469.5193	125	21	8	15216	2	33	20
C-D	0.0	0.0	-1.5976	-1.5976	5	0	0	125	0	2	3

Interface residues

• A-B: ALA125B, ALA127B, ALA129B, ALA273A, ALA281A, ALA282A, ARG152B, ARG154B, ARG267A, ARG268A, ARG278A, ARG2B, ARG49A, ARG55B, ASN75A, ASP118B, ASP126B, ASP131B, ASP35A, ASP83B, GLN34A, GLN71A, GLN72A, GLU119B, GLU279A, GLU53B, GLU76A, GLY155B, GLY269A, GLY276A, GLY84B, HIS123B, ILE121B, ILE132B, ILE263A, ILE36A, ILE45A, LEU-1B, LEU117B, LEU225A, LEU271A, LEU280A, LEU81B, LYS31A, LYS74A, PHE274A, PHE86B, PRO122B, PRO275A, PRO77A, PRO82B, SER116B, SER153B, SER266A, SER272A, SER277A, SER33A, THR270A, TRP68A, TYR150B, TYR4B, VAL128B, VAL32A, VAL3B
• A-C: ALA104A, ALA104C, ALA110A, ALA110C, ALA112A, ALA112C, ALA25A, ALA25C, ALA67A, ALA99A, ALA99C, ASN103A, ASN103C, ASN138C, ASN166C, ASN182C, ASN62A, ASN65A, ASN65C, ASN8C, ASN97A, ASN97C, ASP100A, ASP100C, ASP102A, ASP102C, ASP113A, ASP113C, ASP12A, ASP19A, ASP19C, ASP63A, ASP63C, ASP91A, ASP91C, GLN136C, GLN34A, GLN34C, GLN88A, GLU13A, GLU13C, GLU185C, GLY101A, GLY101C, GLY137C, GLY24A, GLY24C, GLY29A, GLY29C, GLY66A, HIS28A, HIS28C, HIS89A, HIS89C, ILE105A, ILE105C, ILE106A, ILE106C, ILE17A, ILE17C, ILE20A, ILE20C, ILE27A, ILE27C, ILE94A, ILE94C, ILE95A, ILE95C, LEU96A, LEU96C, LYS22A, LYS22C, LYS23A, LYS23C, LYS31A, LYS31C, LYS39C, PHE139C, PHE169C, PRO162C, PRO164C, PRO18A, PRO18C, PRO21A, PRO21C, SER140C, SER163C, SER16A, SER16C, SER184C, SER26A, SER26C, SER33A, SER33C, SER64A, SER64C, SER90A, SER90C, SER93A, SER93C, SER98A, SER98C, THR107A, THR107C, THR108A, THR108C, THR109A, THR109C, THR14C, THR92A, THR92C, TRP15A, TRP15C, TRP68A, TRP68C, VAL11A, VAL11C, VAL165C, VAL30A, VAL30C, VAL32A, VAL32C
• B-C: ALA110B, ALA112B, ASN62C, ASN87B, ASN87C, ASP113B, ASP118B, ASP142B, GLN88C, GLU119B, HIS85C, HIS89C, LEU117B, LYS143B, PHE115B, PHE86C, SER116B, SER140B, THR109B, THR114B
• B-D: ALA104B, ALA104D, ALA110B, ALA110D, ALA111B, ALA112B, ALA112D, ALA25B, ALA25D, ALA67B, ALA99B, ALA99D, ASN103B, ASN103D, ASN138D, ASN166D, ASN182D, ASN62B, ASN65B, ASN65D, ASN87B, ASN8D, ASN97B, ASN97D, ASP100D, ASP102B, ASP102D, ASP113B, ASP113D, ASP12B, ASP19B, ASP19D, ASP63B, ASP63D, ASP91B, ASP91D, GLN136D, GLN34B, GLN34D, GLN71B, GLN88B, GLN88D, GLU13B, GLU13D, GLU185D, GLY101D, GLY137D, GLY24B, GLY24D, GLY29B, GLY29D, GLY66B, GLY66D, HIS28B, HIS28D, HIS89B, HIS89D, ILE105B, ILE105D, ILE106B, ILE106D, ILE17B, ILE17D, ILE20B, ILE20D, ILE27B, ILE27D, ILE94B, ILE94D, ILE95B, ILE95D, LEU96B, LEU96D, LYS22B, LYS22D, LYS23B, LYS23D, LYS31B, LYS31D, LYS39D, PHE139D, PHE169D, PRO164D, PRO18B, PRO18D, PRO21B, PRO21D, SER140D, SER163D, SER16B, SER16D, SER184D, SER26B, SER26D, SER33B, SER33D, SER64B, SER64D, SER90B, SER90D, SER93B, SER93D, SER98B, SER98D, THR107B, THR107D, THR108B, THR108D, THR109B, THR109D, THR10B, THR10D, THR14D, THR92B, THR92D, TRP15B, TRP15D, TRP68B, TRP68D, VAL11B, VAL11D, VAL165D, VAL30B, VAL30D, VAL32D
• C-D: ARG268D, ASP83C, GLY84C, HIS85C, LEU225D