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PDB entries

AKG : Summary

Code

AKG

One-letter code

Molecule name

2-OXOGLUTARIC ACID

Systematic names

Program	Version	Name
ACDLabs	10.04	2-oxopentanedioic acid
OpenEye OEToolkits	1.7.6	2-oxidanylidenepentanedioic acid

Formula

C5 H6 O5

Formal charge

Molecular weight

146.098 Da

SMILES

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(=O)CCC(=O)O
SMILES	CACTVS	3.385	OC(=O)CCC(=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	C(CC(=O)O)C(=O)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)CCC(=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C(CC(=O)O)C(=O)C(=O)O

IUPAC InChI

InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)

IUPAC InChI key

KPGXRSRHYNQIFN-UHFFFAOYSA-N

wwPDB Information
Atom count	16 (10 without Hydrogen)
Polymer type	Bound ligand
Type description	NON-POLYMER
Type code	HETAIN
Is modified	No
Standard parent	Not Assigned
Defined at	1999-07-08
Last modified at	2017-01-17
Status	Released
Obsoleted	Not Assigned

AKG : Atoms of Molecule

Total Number of Atoms: 16

Record	Atom Name	Symbol	PDB Name	Stereochemistry	Is Aromatic	Is Leaving Atom	X-Coordinate	Y-Coordinate	Z-Coordinate
1	C1	C	C1	N	N	N	2.42	-0.309	0.002
2	O1	O	O1	N	N	N	2.428	-1.522	0.001
3	O2	O	O2	N	N	N	3.581	0.372	-0.003
4	C2	C	C2	N	N	N	1.124	0.428	0.001
5	O5	O	O5	N	N	Y	1.116	1.636	0.002
6	C3	C	C3	N	N	N	-0.176	-0.334	0.001
7	C4	C	C4	N	N	N	-1.346	0.652	0.0
8	C5	C	C5	N	N	N	-2.646	-0.109	0.0
9	O3	O	O3	N	N	N	-2.638	-1.318	-0.001
10	O4	O	O4	N	N	N	-3.813	0.554	-0.001
11	HO2	H	HO2	N	N	N	4.395	-0.15	-0.007
12	H31	H	H31	N	N	N	-0.229	-0.961	-0.89
13	H32	H	H32	N	N	N	-0.23	-0.961	0.89
14	H41	H	H41	N	N	N	-1.292	1.279	0.891
15	H42	H	H42	N	N	N	-1.292	1.28	-0.89
16	HO4	H	HO4	N	N	N	-4.62	0.022	-0.001

AKG : Chemical Bonds

Total Number of Bonds: 15

Record	First Atom	Second Atom	First Element	Second Element	Bond Order Type	Bond Length	Bond Stereochemistry	Is Aromatic
1	C1	O1	C	O	doub	1.21	N	N
2	C1	O2	C	O	sing	1.35	N	N
3	C1	C2	C	C	sing	1.49	N	N
4	O2	HO2	O	H	sing	0.97	N	N
5	C2	O5	C	O	doub	1.21	N	N
6	C2	C3	C	C	sing	1.51	N	N
7	C3	C4	C	C	sing	1.53	N	N
8	C3	H31	C	H	sing	1.09	N	N
9	C3	H32	C	H	sing	1.09	N	N
10	C4	C5	C	C	sing	1.51	N	N
11	C4	H41	C	H	sing	1.09	N	N
12	C4	H42	C	H	sing	1.09	N	N
13	C5	O3	C	O	doub	1.21	N	N
14	C5	O4	C	O	sing	1.34	N	N
15	O4	HO4	O	H	sing	0.97	N	N

AKG : Used in PDB Entries

Total Number of PDB Entries: 387

Ligand Code	PDB Entry ID	Type	Total	Distinct
AKG	1aib	Bound ligand	2	1
AKG	1bl5	Bound ligand	1	1
AKG	1cw4	Bound ligand	1	1
AKG	1drt	Bound ligand	1	1
AKG	1dry	Bound ligand	1	1
AKG	1ds1	Bound ligand	1	1
AKG	1e5i	Bound ligand	1	1
AKG	1ea0	Bound ligand	2	1
AKG	1gp4	Bound ligand	1	1
AKG	1gp5	Bound ligand	1	1
AKG	1gqw	Bound ligand	2	1
AKG	1gvg	Bound ligand	1	1
AKG	1gy9	Bound ligand	2	1
AKG	1h2l	Bound ligand	1	1
AKG	1h2n	Bound ligand	1	1
AKG	1hwy	Bound ligand	6	1
AKG	1ika	Bound ligand	1	1
AKG	1llw	Bound ligand	1	1
AKG	1mdx	Bound ligand	1	1
AKG	1mzf	Bound ligand	1	1
AKG	1nx4	Bound ligand	3	1
AKG	1nx8	Bound ligand	3	1
AKG	1ofd	Bound ligand	2	1
AKG	1ofe	Bound ligand	2	1
AKG	1oii	Bound ligand	4	1
AKG	1oij	Bound ligand	4	1
AKG	1oik	Bound ligand	2	1
AKG	1os7	Bound ligand	4	1
AKG	1rxg	Bound ligand	1	1
AKG	1unb	Bound ligand	1	1
AKG	1uob	Bound ligand	1	1
AKG	1yba	Bound ligand	4	1
AKG	2a1x	Bound ligand	1	1
AKG	2brt	Bound ligand	1	1
AKG	2cjh	Bound ligand	1	1
AKG	2fct	Bound ligand	2	1
AKG	2fcu	Bound ligand	2	1
AKG	2fcv	Bound ligand	2	1
AKG	2fd8	Bound ligand	1	1
AKG	2fdf	Bound ligand	1	1
AKG	2fdh	Bound ligand	1	1
AKG	2fdi	Bound ligand	1	1
AKG	2fdk	Bound ligand	1	1
AKG	2gp5	Bound ligand	2	1
AKG	2ilm	Bound ligand	1	1
AKG	2iuw	Bound ligand	1	1
AKG	2j9e	Bound ligand	1	1
AKG	2jjh	Bound ligand	1	1
AKG	2q8c	Bound ligand	2	1
AKG	2qfx	Bound ligand	6	1
AKG	2qfy	Bound ligand	6	1
AKG	2rdn	Bound ligand	1	1
AKG	2rdq	Bound ligand	1	1
AKG	2vdc	Bound ligand	6	1
AKG	2xgx	Bound ligand	2	1
AKG	2xhk	Bound ligand	2	1
AKG	2xko	Bound ligand	2	1
AKG	2xkp	Bound ligand	6	1
AKG	2xue	Bound ligand	2	1
AKG	2xul	Bound ligand	6	1
AKG	2xzw	Bound ligand	6	1
AKG	2y0i	Bound ligand	1	1
AKG	2ykx	Bound ligand	3	1
AKG	2yu1	Bound ligand	1	1
AKG	2ze3	Bound ligand	1	1
AKG	2ztj	Bound ligand	1	1
AKG	2zyf	Bound ligand	1	1
AKG	3al6	Bound ligand	2	1
AKG	3aow	Bound ligand	2	1
AKG	3ath	Bound ligand	4	1
AKG	3bi3	Bound ligand	1	1
AKG	3bie	Bound ligand	1	1
AKG	3bkz	Bound ligand	1	1
AKG	3bn1	Bound ligand	1	1
AKG	3bu0	Bound ligand	1	1
AKG	3buc	Bound ligand	1	1
AKG	3d8c	Bound ligand	1	1
AKG	3dc1	Bound ligand	1	1
AKG	3gjb	Bound ligand	3	1
AKG	3gr9	Bound ligand	6	1
AKG	3hww	Bound ligand	2	1
AKG	3i2o	Bound ligand	1	1
AKG	3i3m	Bound ligand	1	1
AKG	3i3q	Bound ligand	2	1
AKG	3i49	Bound ligand	1	1
AKG	3inm	Bound ligand	3	1
AKG	3ivt	Bound ligand	2	1
AKG	3ivu	Bound ligand	2	1
AKG	3k3o	Bound ligand	1	1
AKG	3khb	Bound ligand	2	1
AKG	3khc	Bound ligand	2	1
AKG	3kt7	Bound ligand	1	1
AKG	3kv6	Bound ligand	2	1
AKG	3kva	Bound ligand	1	1
AKG	3la2	Bound ligand	2	1
AKG	3ldb	Bound ligand	1	1
AKG	3mhy	Bound ligand	3	1
AKG	3nnf	Bound ligand	1	1
AKG	3nnl	Bound ligand	1	1
AKG	3o1m	Bound ligand	1	1
AKG	3o1o	Bound ligand	1	1
AKG	3o1p	Bound ligand	1	1
AKG	3o1r	Bound ligand	1	1
AKG	3o9z	Bound ligand	4	1
AKG	3obz	Bound ligand	1	1
AKG	3op2	Bound ligand	1	1
AKG	3opt	Bound ligand	1	1
AKG	3ouj	Bound ligand	1	1
AKG	3p3n	Bound ligand	1	1
AKG	3p3p	Bound ligand	1	1
AKG	3puq	Bound ligand	2	1
AKG	3qfk	Bound ligand	1	1
AKG	3rq1	Bound ligand	1	1
AKG	3rzj	Bound ligand	1	1
AKG	3rzk	Bound ligand	1	1
AKG	3s57	Bound ligand	1	1
AKG	3s5a	Bound ligand	1	1
AKG	3sn4	Bound ligand	1	1
AKG	3ta2	Bound ligand	3	1
AKG	3thp	Bound ligand	1	1
AKG	3tht	Bound ligand	4	1
AKG	3u78	Bound ligand	1	1
AKG	3uyj	Bound ligand	2	1
AKG	3v17	Bound ligand	4	1
AKG	3w21	Bound ligand	1	1
AKG	3wx9	Bound ligand	2	1
AKG	3zli	Bound ligand	2	1
AKG	4ajc	Bound ligand	1	1
AKG	4ajr	Bound ligand	1	1
AKG	4bu2	Bound ligand	1	1
AKG	4bxf	Bound ligand	2	1
AKG	4gjz	Bound ligand	1	1
AKG	4hg3	Bound ligand	4	1
AKG	4hon	Bound ligand	2	1
AKG	4igo	Bound ligand	1	1
AKG	4kcv	Bound ligand	2	1
AKG	4kzo	Bound ligand	3	1
AKG	4l03	Bound ligand	3	1
AKG	4l04	Bound ligand	6	1
AKG	4l06	Bound ligand	6	1
AKG	4lit	Bound ligand	1	1
AKG	4m25	Bound ligand	4	1
AKG	4m26	Bound ligand	2	1
AKG	4mpd	Bound ligand	1	1
AKG	4nao	Bound ligand	1	1
AKG	4nid	Bound ligand	1	1
AKG	4nig	Bound ligand	1	1
AKG	4nih	Bound ligand	1	1
AKG	4nii	Bound ligand	1	1
AKG	4npl	Bound ligand	2	1
AKG	4nro	Bound ligand	1	1
AKG	4oct	Bound ligand	2	1
AKG	4oj8	Bound ligand	3	1
AKG	4p7w	Bound ligand	1	1
AKG	4p7x	Bound ligand	1	1
AKG	4q5o	Bound ligand	2	1
AKG	4qkb	Bound ligand	3	1
AKG	4qkd	Bound ligand	3	1
AKG	4qu1	Bound ligand	1	1
AKG	4qu2	Bound ligand	2	1
AKG	4qwn	Bound ligand	2	1
AKG	4qx7	Bound ligand	2	1
AKG	4qx8	Bound ligand	2	1
AKG	4usi	Bound ligand	2	1
AKG	4xac	Bound ligand	1	1
AKG	4xca	Bound ligand	4	1
AKG	4xcb	Bound ligand	4	1
AKG	4xgi	Bound ligand	6	1
AKG	4y5s	Bound ligand	2	1
AKG	4z2w	Bound ligand	1	1
AKG	4zhn	Bound ligand	1	1
AKG	4zs2	Bound ligand	1	1
AKG	4zs3	Bound ligand	1	1
AKG	5bkb	Bound ligand	2	1
AKG	5bkc	Bound ligand	2	1
AKG	5bkd	Bound ligand	2	1
AKG	5c3p	Bound ligand	4	1
AKG	5c3q	Bound ligand	4	1
AKG	5c3r	Bound ligand	4	1
AKG	5c3s	Bound ligand	4	1
AKG	5c5t	Bound ligand	2	1
AKG	5cg8	Bound ligand	1	1
AKG	5cg9	Bound ligand	2	1
AKG	5d2h	Bound ligand	1	1
AKG	5dab	Bound ligand	1	1
AKG	5dap	Bound ligand	1	1
AKG	5daq	Bound ligand	1	1
AKG	5daw	Bound ligand	1	1
AKG	5dax	Bound ligand	1	1
AKG	5e25	Bound ligand	1	1
AKG	5e6h	Bound ligand	1	1
AKG	5ep9	Bound ligand	4	1
AKG	5epa	Bound ligand	6	1
AKG	5equ	Bound ligand	4	1
AKG	5f8p	Bound ligand	1	1
AKG	5fbj	Bound ligand	1	1
AKG	5fup	Bound ligand	1	1
AKG	5hv0	Bound ligand	2	1
AKG	5hv4	Bound ligand	1	1
AKG	5hxx	Bound ligand	1	1
AKG	5i95	Bound ligand	1	1
AKG	5iax	Bound ligand	2	1
AKG	5ijz	Bound ligand	9	1
AKG	5iqs	Bound ligand	3	1
AKG	5iqt	Bound ligand	3	1
AKG	5iqu	Bound ligand	1	1
AKG	5iqv	Bound ligand	3	1
AKG	5ivb	Bound ligand	1	1
AKG	5iw0	Bound ligand	1	1
AKG	5j4r	Bound ligand	1	1
AKG	5jwk	Bound ligand	1	1
AKG	5jwl	Bound ligand	1	1
AKG	5jwp	Bound ligand	1	1
AKG	5l9b	Bound ligand	2	1
AKG	5m0t	Bound ligand	3	1
AKG	5mof	Bound ligand	2	1
AKG	5nci	Bound ligand	2	1
AKG	5nfn	Bound ligand	3	1
AKG	5nfo	Bound ligand	2	1
AKG	5o9w	Bound ligand	1	1
AKG	5oa7	Bound ligand	1	1
AKG	5oa8	Bound ligand	1	1
AKG	5oy3	Bound ligand	1	1
AKG	5t22	Bound ligand	2	1
AKG	5tvr	Bound ligand	2	1
AKG	5ui3	Bound ligand	4	1
AKG	5uqd	Bound ligand	1	1
AKG	5v2x	Bound ligand	4	1
AKG	5v2y	Bound ligand	1	1
AKG	5v7y	Bound ligand	1	1
AKG	5vka	Bound ligand	1	1
AKG	5vkb	Bound ligand	1	1
AKG	5wmi	Bound ligand	1	1
AKG	5xeg	Bound ligand	1	1
AKG	5xvv	Bound ligand	3	1
AKG	5xvx	Bound ligand	1	1
AKG	5y2v	Bound ligand	2	1
AKG	5y7r	Bound ligand	1	1
AKG	5y7t	Bound ligand	1	1
AKG	5y9x	Bound ligand	1	1
AKG	5ybl	Bound ligand	2	1
AKG	5ybn	Bound ligand	2	1
AKG	5ybo	Bound ligand	2	1
AKG	5ybp	Bound ligand	2	1
AKG	5ybq	Bound ligand	2	1
AKG	5ybr	Bound ligand	2	1
AKG	5ybs	Bound ligand	2	1
AKG	5ybt	Bound ligand	2	1
AKG	5yhv	Bound ligand	2	1
AKG	5yl6	Bound ligand	1	1
AKG	5yvz	Bound ligand	1	1
AKG	5zm3	Bound ligand	4	1
AKG	5zm4	Bound ligand	4	1
AKG	6aj8	Bound ligand	1	1
AKG	6aja	Bound ligand	1	1
AKG	6ajb	Bound ligand	1	1
AKG	6akw	Bound ligand	1	1
AKG	6alm	Bound ligand	1	1
AKG	6aln	Bound ligand	1	1
AKG	6ax3	Bound ligand	1	1
AKG	6cba	Bound ligand	1	1
AKG	6cf3	Bound ligand	1	1
AKG	6d0o	Bound ligand	4	1
AKG	6d3h	Bound ligand	4	1
AKG	6d3i	Bound ligand	4	1
AKG	6d3j	Bound ligand	1	1
AKG	6d3m	Bound ligand	4	1
AKG	6dax	Bound ligand	1	1
AKG	6eoz	Bound ligand	1	1
AKG	6eur	Bound ligand	4	1
AKG	6f2b	Bound ligand	4	1
AKG	6f4n	Bound ligand	2	1
AKG	6f4s	Bound ligand	1	1
AKG	6f6d	Bound ligand	1	1
AKG	6fxk	Bound ligand	1	1
AKG	6fxm	Bound ligand	1	1
AKG	6fxr	Bound ligand	1	1
AKG	6fxt	Bound ligand	1	1
AKG	6fxx	Bound ligand	1	1
AKG	6fxy	Bound ligand	1	1
AKG	6g3u	Bound ligand	1	1
AKG	6gdy	Bound ligand	2	1
AKG	6gem	Bound ligand	4	1
AKG	6ie2	Bound ligand	8	1
AKG	6ip0	Bound ligand	1	1
AKG	6k0e	Bound ligand	1	1
AKG	6k0f	Bound ligand	1	1
AKG	6ktq	Bound ligand	2	1
AKG	6ku3	Bound ligand	4	1
AKG	6kun	Bound ligand	2	1
AKG	6kwb	Bound ligand	1	1
AKG	6lpx	Bound ligand	2	1
AKG	6lsv	Bound ligand	2	1
AKG	6mev	Bound ligand	8	1
AKG	6mp8	Bound ligand	1	1
AKG	6n2o	Bound ligand	1	1
AKG	6nie	Bound ligand	4	1
AKG	6npb	Bound ligand	1	1
AKG	6npc	Bound ligand	1	1
AKG	6o0g	Bound ligand	1	1
AKG	6oxh	Bound ligand	2	1
AKG	6pbn	Bound ligand	1	1
AKG	6q1s	Bound ligand	4	1
AKG	6s0s	Bound ligand	6	1
AKG	6s0u	Bound ligand	6	1
AKG	6te3	Bound ligand	1	1
AKG	6tec	Bound ligand	1	1
AKG	6tes	Bound ligand	1	1
AKG	6teu	Bound ligand	1	1
AKG	6tex	Bound ligand	1	1
AKG	6tez	Bound ligand	1	1
AKG	6tto	Bound ligand	1	1
AKG	6vp4	Bound ligand	4	1
AKG	6vp5	Bound ligand	4	1
AKG	6xo3	Bound ligand	1	1
AKG	6xoj	Bound ligand	1	1
AKG	6y0n	Bound ligand	1	1
AKG	6y0q	Bound ligand	1	1
AKG	6yei	Bound ligand	1	1
AKG	6ypv	Bound ligand	1	1
AKG	6yw1	Bound ligand	1	1
AKG	6yyu	Bound ligand	1	1
AKG	6yyw	Bound ligand	1	1
AKG	7de2	Bound ligand	2	1
AKG	7dt0	Bound ligand	8	1
AKG	7e00	Bound ligand	1	1
AKG	7e06	Bound ligand	2	1
AKG	7e07	Bound ligand	2	1
AKG	7e37	Bound ligand	2	1
AKG	7ekd	Bound ligand	1	1
AKG	7etk	Bound ligand	2	1
AKG	7etl	Bound ligand	1	1
AKG	7eys	Bound ligand	1	1
AKG	7f79	Bound ligand	6	1
AKG	7jqi	Bound ligand	1	1
AKG	7jsd	Bound ligand	4	1
AKG	7olp	Bound ligand	1	1
AKG	7olr	Bound ligand	1	1
AKG	7p50	Bound ligand	3	1
AKG	7p52	Bound ligand	1	1
AKG	7pjm	Bound ligand	3	1
AKG	7q5x	Bound ligand	1	1
AKG	7qtd	Bound ligand	4	1
AKG	7twe	Bound ligand	2	1
AKG	7u6h	Bound ligand	4	1
AKG	7v2t	Bound ligand	1	1
AKG	7v2u	Bound ligand	1	1
AKG	7v2x	Bound ligand	1	1
AKG	7v34	Bound ligand	1	1
AKG	7v36	Bound ligand	1	1
AKG	7v3e	Bound ligand	3	1
AKG	7v3n	Bound ligand	1	1
AKG	7v3o	Bound ligand	1	1
AKG	7v4m	Bound ligand	1	1
AKG	7v57	Bound ligand	1	1
AKG	7vgn	Bound ligand	1	1
AKG	7vjv	Bound ligand	1	1
AKG	7w5t	Bound ligand	1	1
AKG	7wcv	Bound ligand	1	1
AKG	7wkv	Bound ligand	3	1
AKG	7wsb	Bound ligand	6	1
AKG	7y5p	Bound ligand	2	1
AKG	7yhe	Bound ligand	2	1
AKG	7yxg	Bound ligand	2	1
AKG	8acv	Bound ligand	2	1
AKG	8aut	Bound ligand	4	1
AKG	8bw7	Bound ligand	1	1
AKG	8cv8	Bound ligand	1	1
AKG	8cvb	Bound ligand	1	1
AKG	8cve	Bound ligand	1	1
AKG	8cvg	Bound ligand	1	1
AKG	8ew9	Bound ligand	1	1
AKG	8h7v	Bound ligand	2	1
AKG	8h7y	Bound ligand	2	1
AKG	8hb2	Bound ligand	2	1
AKG	8hiv	Bound ligand	1	1
AKG	8it9	Bound ligand	1	1
AKG	8jpw	Bound ligand	1	1
AKG	8one	Bound ligand	1	1
AKG	8ooo	Bound ligand	12	1
AKG	8ooq	Bound ligand	24	1
AKG	8w78	Bound ligand	4	1
AKG	8xcs	Bound ligand	1	1
AKG	8xcu	Bound ligand	1	1
AKG	8xcw	Bound ligand	1	1
AKG	8xd0	Bound ligand	1	1
AKG	8xd6	Bound ligand	2	1

Protein Data Bank
in Europe

Bringing Structure to Biology

Chemical Components in the PDB

AKG : Summary

Code

One-letter code

Molecule name

Systematic names

Formula

Formal charge

Molecular weight

SMILES

IUPAC InChI

IUPAC InChI key

wwPDB Information

Atom count

Polymer type

Type description

Type code

Is modified

Standard parent

Defined at

Last modified at

Status

Obsoleted

AKG : Atoms of Molecule

AKG : Chemical Bonds

AKG : Used in PDB Entries

EMBL-EBI

Services

Research

Training

Industry

About us

Protein Data Bank in Europe

Bringing Structure to Biology

Chemical Components in the PDB

AKG : Summary

Code

One-letter code

Molecule name

Systematic names

Formula

Formal charge

Molecular weight

SMILES

IUPAC InChI

IUPAC InChI key

wwPDB Information

Atom count

Polymer type

Type description

Type code

Is modified

Standard parent

Defined at

Last modified at

Status

Obsoleted

AKG : Atoms of Molecule

AKG : Chemical Bonds

AKG : Used in PDB Entries

EMBL-EBI

Services

Research

Training

Industry

About us

Protein Data Bank
in Europe