3G5A

crystal structure of candida glabrata fmn adenylyltransferase in complex with fmn and atp analog ampcpp

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 42
  • Norm. En. per Res.: -4.7542
• 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	-17.2099	-47.1537	-135.313	-199.6766	42	10	3	4874	3	8	6
A-C	-60.7097	34.8357	-252.711	-278.585	114	14	1	10545	5	124	82
A-F	-23.4726	56.467	-91.232	-58.2376	82	6	4	3736	0	24	43
B-D	-73.6761	20.793	-250.518	-303.4011	109	15	1	10510	7	115	78
B-E	-24.3742	124.5072	-102.407	-2.274	97	6	4	5241	2	54	65
B-F	0.0	0.0	-0.053	-0.053	3	0	0	12	0	2	0
C-F	-95.27	-60.1611	-145.514	-300.945	81	19	3	6782	10	50	46
D-E	-54.8798	-21.1038	-183.579	-259.5626	87	20	3	7946	10	55	48

Interface residues

• A-B: ALA6A, ALA7A, ARG2A, ASN12A, ASP5A, ASP92B, CYS77A, GLN88B, GLN90B, GLU80A, GLU8A, GLY4A, GLY93B, HIS96B, ILE83A, LEU100A, LEU103A, LEU3A, LEU53A, LEU75A, LEU78A, LEU86A, LEU9A, LYS102A, LYS94B, MET1A, PHE47A, PHE91B, PHE95B, PRO52A, SER129A, SER76A, SER87A, SER89B, THR101A, THR262A, TRP79A, TYR74A, TYR81A, TYR82A, VAL261A, VAL84A
• A-C: ALA199C, ALA298A, ALA298C, ALA29C, ALA34C, ARG137A, ARG165C, ARG236A, ARG297C, ARG300A, ARG300C, ARG33C, ASN119A, ASN197C, ASN200C, ASN225A, ASN232C, ASN247C, ASN279A, ASN36C, ASP109A, ASP111A, ASP112A, ASP136A, ASP138A, ASP168C, ASP25C, ASP271A, ASP292C, ASP293C, CYS140A, GLN30C, GLN32C, GLU118A, GLU122A, GLU134A, GLU141A, GLU145A, GLU172C, GLU227A, GLU228A, GLU23C, GLU249C, GLU272A, GLU278A, GLU282A, GLU296C, GLY171C, GLY224A, GLY299A, GLY299C, HIS110A, HIS166C, HIS173C, HIS195C, HIS234C, HIS281A, ILE108A, ILE164C, ILE201C, ILE277A, ILE27C, ILE28C, ILE301A, ILE35C, ILE41C, LEU174C, LEU194C, LEU198C, LEU230A, LEU244C, LEU246C, LEU280A, LEU295C, LYS115A, LYS139A, LYS175C, LYS245C, LYS276A, LYS294C, LYS302A, LYS302C, LYS303A, LYS303C, LYS304A, LYS304C, MET143A, PHE107A, PHE114A, PHE170C, PHE248C, PRO169C, PRO176C, PRO231A, PRO233A, PRO233C, PRO243C, SER24C, SER26C, SER40C, THR113A, THR142A, THR167C, THR229A, THR242C, THR31C, THR37C, THR38C, TRP196C, TYR284A, TYR289C, VAL226A, VAL275A, VAL291C
• A-F: ALA-2A, ALA-2F, ALA270A, ALA270F, ARG137A, ARG137F, ARG2A, ARG2F, ASN119F, ASP136A, ASP136F, ASP138A, ASP138F, ASP271A, ASP271F, GLU122A, GLU122F, GLU123A, GLU123F, GLU134A, GLU134F, GLU260A, GLU260F, GLU265A, GLU265F, GLU272A, GLU272F, GLY-3A, GLY-3F, ILE108A, ILE108F, ILE267A, ILE267F, LEU103A, LEU103F, LEU126A, LEU126F, LEU130A, LEU130F, LEU132A, LEU132F, LYS102A, LYS102F, LYS115A, LYS115F, LYS263A, LYS263F, MET-1A, MET-1F, PHE107A, PHE107F, PHE150A, PHE150F, PHE154A, PHE154F, PRO104A, PRO104F, PRO268A, PRO268F, PRO99F, SER125A, SER125F, SER129A, SER129F, SER131A, SER131F, SER135A, SER135F, THR101A, THR101F, THR105A, THR105F, THR149A, THR149F, TYR133A, TYR133F, VAL0A, VAL0F, VAL106A, VAL106F, VAL153A, VAL153F
• B-D: ALA199D, ALA270B, ALA298B, ALA298D, ALA29D, ALA34D, ARG137B, ARG165D, ARG236B, ARG297D, ARG300B, ARG300D, ARG33D, ASN119B, ASN197D, ASN200D, ASN225B, ASN232D, ASN247D, ASN279B, ASN36D, ASP109B, ASP111B, ASP112B, ASP136B, ASP138B, ASP168D, ASP25D, ASP271B, ASP292D, ASP293D, CYS140B, GLN30D, GLN32D, GLU118B, GLU122B, GLU134B, GLU141B, GLU172D, GLU227B, GLU228B, GLU23D, GLU249D, GLU272B, GLU278B, GLU282B, GLU296D, GLU45D, GLY171D, GLY224B, GLY299B, GLY299D, HIS110B, HIS166D, HIS173D, HIS195D, HIS234D, HIS281B, ILE108B, ILE164D, ILE277B, ILE27D, ILE28D, ILE301B, ILE35D, ILE41D, LEU174D, LEU194D, LEU198D, LEU230B, LEU244D, LEU246D, LEU280B, LEU295D, LYS115B, LYS139B, LYS175D, LYS245D, LYS276B, LYS294D, LYS302B, LYS303B, LYS304B, MET143B, PHE107B, PHE114B, PHE170D, PHE248D, PRO169D, PRO176D, PRO231B, PRO233B, PRO233D, SER24D, SER26D, SER40D, THR113B, THR142B, THR167D, THR229B, THR31D, THR37D, THR38D, TRP196D, TRP250D, TYR284B, VAL226B, VAL275B, VAL291D
• B-E: ALA270B, ALA270E, ARG127B, ARG127E, ARG137B, ARG137E, ARG2B, ARG2E, ARG97B, ASN119B, ASN119E, ASN259B, ASN54E, ASP109B, ASP109E, ASP136B, ASP136E, ASP138B, ASP138E, ASP271B, ASP271E, ASP5B, ASP5E, GLN152B, GLN152E, GLU118B, GLU118E, GLU122B, GLU122E, GLU123B, GLU123E, GLU134B, GLU134E, GLU156E, GLU260B, GLU260E, GLU265B, GLU265E, GLU272B, GLU272E, ILE121B, ILE121E, ILE267B, ILE267E, ILE269B, LEU103B, LEU103E, LEU126B, LEU126E, LEU130B, LEU130E, LEU132B, LEU132E, LEU3B, LYS102B, LYS102E, LYS115B, LYS115E, LYS139B, LYS139E, LYS263B, LYS263E, MET1B, MET1E, PHE107E, PHE120B, PHE150B, PHE154B, PHE154E, PRO104B, PRO104E, PRO155E, PRO266B, PRO268B, PRO268E, SER125B, SER125E, SER129B, SER129E, SER131B, SER131E, SER135E, THR101B, THR101E, THR105B, THR105E, THR124B, THR149B, THR149E, THR262B, TYR133B, TYR133E, VAL0B, VAL153B, VAL153E, VAL261B, VAL261E
• B-F: ASP92B, LYS102F, THR101F
• C-F: ALA182C, ALA264F, ALA270F, ARG189C, ARG217F, ARG255F, ASN119F, ASN183C, ASN209F, ASN279F, ASN54C, ASP181C, ASP186C, ASP271F, ASP273F, ASP283F, GLN178C, GLU123F, GLU145C, GLU148C, GLU156C, GLU172C, GLU214F, GLU249F, GLU253F, GLU260F, GLU265F, GLU272F, GLU278F, GLU282F, GLU45C, GLU56C, GLY171C, GLY219F, HIS173C, HIS281F, ILE177C, ILE212F, ILE252F, ILE267F, ILE269F, ILE277F, LEU151C, LEU174C, LEU206F, LEU215F, LEU246F, LEU274F, LEU280F, LYS158C, LYS175C, LYS179C, LYS237F, LYS239F, LYS263F, LYS304C, LYS49C, PHE170C, PHE187C, PRO155C, PRO169C, PRO176C, PRO185C, PRO231F, PRO266F, PRO268F, PRO286F, PRO48C, THR116F, THR180C, THR46C, TRP184C, TRP288F, TRP50C, TYR188C, TYR216F, TYR218F, TYR284F, TYR285F, TYR289F, VAL275F
• D-E: ALA144D, ALA182D, ALA264E, ALA270E, ARG127E, ARG189D, ARG217E, ARG255E, ASN119E, ASN183D, ASN209E, ASN254E, ASN259E, ASN279E, ASP168D, ASP181D, ASP186D, ASP271E, ASP273E, ASP283E, GLN178D, GLU123E, GLU145D, GLU148D, GLU172D, GLU210E, GLU214E, GLU249E, GLU251E, GLU253E, GLU260E, GLU265E, GLU272E, GLU278E, GLU282E, GLU45D, GLY171D, GLY219E, HIS166D, HIS173D, HIS258E, HIS281E, ILE177D, ILE212E, ILE252E, ILE267E, ILE269E, ILE277E, LEU174D, LEU205E, LEU206E, LEU215E, LEU246E, LEU274E, LEU280E, LYS158D, LYS175D, LYS179D, LYS237E, LYS239E, LYS257E, LYS263E, LYS49D, PHE170D, PHE187D, PRO169D, PRO176D, PRO185D, PRO211E, PRO231E, PRO266E, PRO268E, PRO286E, PRO48D, THR116E, THR142D, THR180D, TRP184D, TRP288E, TRP50D, TYR188D, TYR216E, TYR218E, TYR284E, TYR285E, TYR289E, VAL275E