1XAL

crystal structure of staphlyococcus aureus 3-dehydroquinate synthase (dhqs) in complex with zn2+, nad+ and carbaphosphonate (soak)

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 159
  • Norm. En. per Res.: -3.1816
• Hub Node: A(1)

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	-61.1186	-3.2747	-441.475	-505.8682	159	38	9	19364	2	46	79

Interface residues

• A-B: ALA111A, ALA111B, ALA150A, ALA150B, ARG115A, ARG115B, ARG153A, ARG153B, ARG235A, ARG235B, ARG90A, ARG90B, ASN10A, ASN10B, ASN140A, ASN140B, ASN146A, ASN146B, ASN239A, ASN239B, ASN316A, ASN316B, ASN58A, ASN58B, ASN91A, ASN91B, ASP104A, ASP104B, ASP228A, ASP228B, ASP313A, ASP313B, ASP317A, ASP317B, ASP32A, ASP32B, GLN143A, GLN143B, GLN232A, GLN232B, GLN319A, GLN319B, GLN322A, GLN322B, GLN33A, GLN33B, GLN75B, GLN77A, GLN77B, GLU229A, GLU229B, GLU231A, GLU231B, GLU74A, GLU74B, GLU78A, GLU78B, GLU81A, GLU81B, GLY116A, GLY116B, GLY135A, GLY135B, GLY138A, GLY138B, GLY144A, GLY144B, GLY149A, GLY149B, GLY233A, GLY233B, GLY320A, GLY320B, HIS118A, HIS118B, HIS246A, HIS246B, HIS60A, HIS60B, HIS86A, HIS86B, HIS87A, HIS87B, ILE139A, ILE139B, ILE148A, ILE148B, ILE83A, ILE83B, LEU113A, LEU113B, LEU114A, LEU114B, LEU147A, LEU147B, LEU311A, LEU311B, LEU80A, LEU80B, LEU84A, LEU84B, LYS136A, LYS136B, LYS142A, LYS142B, LYS145A, LYS145B, LYS230A, LYS230B, LYS236A, LYS236B, LYS314A, LYS314B, LYS315A, LYS315B, LYS318A, LYS318B, LYS71A, LYS71B, PHE108A, PHE108B, PHE151A, PHE151B, PHE31A, PHE31B, PHE73A, PHE73B, PRO8A, PRO8B, SER141A, SER141B, SER312A, SER312B, SER85A, SER85B, SER9A, SER9B, THR112A, THR112B, THR72A, THR72B, THR89A, THR89B, THR92A, THR92B, TYR152A, TYR152B, TYR76A, TYR76B, TYR82A, TYR82B, VAL109A, VAL109B, VAL117A, VAL117B, VAL137A, VAL137B, VAL88A, VAL88B